qnr-1.dat

 $DATA  
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
C1       0
C           6.0     -0.6053280246      0.4713533989      0.3551984058
   PCSEG   0
        
C           6.0      0.6047726111     -0.4575467165      0.3714844587
   PCSEG   0
        
F           9.0      1.6851217840      0.1359360226     -0.2961095211
   PCSEG   0
        
H           1.0      0.9462732554     -0.6924430612      1.3975840300
   PCSEG   0
        
H           1.0      0.3353911751     -1.3960930234     -0.1501011554
   PCSEG   0
        
F           9.0     -1.6846674498     -0.1469705427     -0.2913262387
   PCSEG   0
        
H           1.0     -0.9468295772      0.7408508692      1.3726021668
   PCSEG   0
        
H           1.0     -0.3367862445      1.3913019533     -0.1988857621
   PCSEG   0
        
 $END      
 $ZMAT   IZMAT(1)=
         1,   2,   1,
         1,   3,   2,
         2,   3,   2,   1,
         1,   4,   2,
         2,   4,   2,   1,
         3,   4,   2,   1,   3,
         1,   5,   2,
         2,   5,   2,   1,
         3,   5,   2,   1,   3,
         1,   6,   1,
         2,   6,   1,   2,
         3,   6,   1,   2,   3,
         1,   7,   1,
         2,   7,   1,   2,
         3,   7,   1,   2,   6,
         1,   8,   1,
         2,   8,   1,   2,
         3,   8,   1,   2,   6,
 $END
-------------------- DATA FROM NSERCH=   0 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6053280246   0.4713533989   0.3551984058
 C           6.0   0.6047726111  -0.4575467165   0.3714844587
 F           9.0   1.6851217840   0.1359360226  -0.2961095211
 H           1.0   0.9462732554  -0.6924430612   1.3975840300
 H           1.0   0.3353911751  -1.3960930234  -0.1501011554
 F           9.0  -1.6846674498  -0.1469705427  -0.2913262387
 H           1.0  -0.9468295772   0.7408508692   1.3726021668
 H           1.0  -0.3367862445   1.3913019533  -0.1988857621
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:27:41 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9333859900, E(NUC)=  124.7271028766,   18 ITERS
 $VEC   
 1  1 1.66761127E-05 8.17896399E-05-1.26345641E-03-5.16415376E-04 8.75237126E-05
 1  2-1.63808627E-04-2.48375067E-03-9.82907009E-04 6.21923029E-04-7.72808217E-05
 1  3 8.10296390E-05-3.74881736E-06 1.08355219E-04 6.35897794E-05-5.44474957E-05
 1  4-1.15868829E-04-5.05811105E-04 8.23575728E-03 1.02928695E-03 3.16304079E-04
 1  5-5.32559735E-04 2.56269673E-03 2.83628207E-03-1.94582749E-03 7.41370198E-05
 1  6-3.79941771E-05-3.61428428E-05 2.26225050E-04-1.76617364E-04-1.11082116E-04
 1  7 9.60350087E-01 3.28923520E-02-1.62926056E-02-8.78941832E-04-5.03874170E-04
 1  8 5.49587134E-04 2.75919062E-03 1.55762357E-03-1.74339206E-03-1.60215992E-04
 1  9 1.20695357E-04 3.95206350E-05-2.76138517E-04 2.75246403E-04 1.46165321E-04
 1 10-8.71659735E-04-2.37078574E-04-2.18049194E-04-2.38947562E-04 2.15011862E-04
 1 11-8.25250502E-04-9.25813753E-05-2.23110817E-04-2.79743393E-04 1.73290383E-04
 1 12 2.52863236E-01 8.63408764E-03-4.11236412E-03 2.36862197E-04 1.50215876E-04
 1 13 1.49070298E-04-5.31725425E-04-4.10362973E-04-5.20950795E-04-4.61825005E-05
 1 14 5.30356741E-05-6.85317356E-06-3.65648480E-05-5.93516201E-05-6.56221008E-05
 1 15-9.98642745E-05-5.05033204E-04 1.41858438E-04 9.58002815E-05 1.93403209E-05
 1 16 1.52572386E-04 7.99486856E-04-2.27414650E-05 9.05735104E-05 4.42233351E-05
 2  1-1.42699201E-04-6.28672047E-04 1.01842771E-02-8.89600738E-04-4.35791446E-04
 2  2-5.06219878E-04-1.53120550E-03-2.79025447E-03-2.46550527E-03 1.27623031E-04
 2  3-8.10310415E-05-4.65919895E-05 2.06360495E-04 1.57789175E-04 1.58407567E-04
 2  4 8.47329924E-05 3.79120140E-04-6.12078120E-03 1.13764271E-05-2.86411268E-04
 2  5 1.16952760E-04 1.40567141E-03-4.58399621E-04 1.77044654E-03-1.29790826E-04
 2  6 1.17955659E-04 1.18351673E-05-6.51316488E-06 2.35243945E-05 1.21540604E-04
 2  7-2.52869447E-01-8.69149941E-03 4.49426235E-03 2.24791717E-04 1.19146236E-04
 2  8-1.33963019E-04-9.49822481E-04-4.32535871E-04 3.72999922E-04 3.76962939E-05
 2  9-2.99092537E-06-3.47053685E-05 1.16910550E-04-8.61722119E-05-1.05877846E-05
 2 10 3.80142772E-04-4.45239334E-04-3.94996558E-05 2.63375491E-05-9.57850417E-05
 2 11 6.40941835E-04 9.69141401E-04 1.52282331E-04 5.64223427E-05-4.34525431E-05
 2 12 9.60351703E-01 3.29067781E-02-1.63911954E-02 8.74506902E-04 5.17382763E-04
 2 13 5.26715566E-04-2.86556480E-03-1.63129579E-03-1.64565449E-03-1.56992005E-04
 2 14 9.76548717E-05 5.93371332E-05-3.08066457E-04-2.71179035E-04-1.34727386E-04
 2 15-9.46914708E-04 1.13883420E-05 1.69862411E-04 2.29813718E-04 2.26378778E-04
 2 16-1.03359152E-03-5.54108841E-04 2.68680863E-04 2.77634183E-04 1.62823926E-04
 3  1 8.66272449E-01 3.17158515E-02-1.58260315E-02-1.13811512E-03 2.29446544E-04
 3  2-2.83949434E-04-1.58078507E-03-5.44409335E-04-2.97728895E-04-3.23254280E-04
 3  3-9.19912744E-05 4.15245554E-04 7.20056036E-04-3.82055117E-05 3.30863389E-05
 3  4 4.86241603E-01 1.72092855E-02-5.43366578E-03 1.05160142E-03-4.99197173E-04
 3  5-1.20654504E-04-3.45390438E-04 1.65151190E-03-9.51364213E-05-4.60776716E-04
 3  6-7.60830918E-05 5.36859808E-04 8.84082126E-04-5.52279865E-07 1.64146821E-05
 3  7 3.60139344E-05 1.56839478E-04-5.67873080E-04 2.00179217E-04 6.46307992E-05
 3  8-9.32310704E-05 5.12447011E-04 5.34819794E-04-5.06526810E-04-1.64236382E-04
 3  9 1.32796129E-04 3.14402533E-05-4.39699537E-04 3.88847160E-04 2.32034781E-04
 3 10-9.16167754E-04 1.81981455E-03 7.99843633E-05-1.16694436E-04 6.42291033E-04
 3 11-7.54549400E-04 2.54748340E-03-3.40487341E-04-4.55784709E-04-2.92581430E-04
 3 12 5.83939403E-05 3.56862932E-04-7.66393487E-04-2.73506684E-04-1.00854275E-04
 3 13-1.27405471E-04-1.05237918E-03-9.50041166E-04-8.62163896E-04-3.76104186E-04
 3 14 2.11037548E-04 1.65066637E-04-6.90604127E-04-6.78664093E-04-4.14911871E-04
 3 15-1.26249449E-03 2.98708814E-03-1.94934417E-04 2.51585906E-04 1.10447065E-03
 3 16-1.08864215E-03 3.54564253E-03 4.46704894E-04 8.65053567E-04-5.38755359E-04
 4  1-4.86074817E-01-1.89316618E-02 1.54880724E-02-1.53184881E-04 5.72133500E-04
 4  2 2.00892356E-04 3.25585715E-03-2.27837670E-03 4.13539073E-04-3.57106559E-04
 4  3 5.48825953E-06 3.51618299E-04 5.17105304E-04 3.32410492E-06-3.96394535E-05
 4  4 8.66178747E-01 3.26813215E-02-2.14622210E-02 4.62583101E-04 3.55423832E-04
 4  5-3.32581589E-04 3.60623659E-03-1.67568520E-03-4.47519129E-04 1.39026058E-04
 4  6-5.75905850E-05-8.14354728E-05-6.60404265E-05 2.47040000E-05-5.28749306E-05
 4  7 5.31600426E-05 4.29966792E-04-5.49020439E-04 1.98184072E-04 7.80867689E-05
 4  8-9.81664073E-05 1.18493826E-03 8.86086847E-04-8.91034470E-04-4.56831821E-04
 4  9 2.39476928E-04 2.17354893E-04-5.56339776E-04 7.12592776E-04 4.08268380E-04
 4 10-9.23108796E-04 2.74507742E-03 2.42932294E-04-2.19952553E-04 1.08347781E-03
 4 11-8.50265948E-04 2.63336584E-03-3.01545780E-04-9.47254963E-04-4.95871615E-04
 4 12-2.66262428E-05-2.85428164E-04 1.72324128E-04 6.45996466E-05 3.44494143E-05
 4 13 3.40808863E-05 7.45682745E-04 4.94217696E-04 4.79292891E-04 3.04172573E-04
 4 14-1.21019127E-04-1.83153446E-04 2.60120052E-04 3.96680188E-04 2.25880777E-04
 4 15 3.10994631E-04-1.39556804E-03 1.66494479E-04-1.47382068E-04-5.85346410E-04
 4 16 3.33115481E-04-9.19582877E-04-8.03657604E-05-5.61266987E-04 2.90795628E-04
 5  1-5.15983220E-02 9.60478881E-02 2.28348562E-02-4.19749141E-02-3.73510203E-02
 5  2-3.45807500E-02-1.54280095E-03-8.06219329E-03-2.15457690E-03 7.75409498E-03
 5  3-3.21793362E-03-4.53616135E-03 6.36814756E-03 8.90303122E-03 5.86267390E-03
 5  4-5.16191926E-02 9.60877316E-02 2.28317407E-02 4.20303670E-02 3.60264282E-02
 5  5-3.58742306E-02 1.54398641E-03 7.99094919E-03-2.43411000E-03 7.78190497E-03
 5  6-3.60149612E-03-4.18040885E-03 6.04009115E-03-9.13169605E-03-5.88435079E-03
 5  7-1.66883129E-01 3.39541046E-01 3.46917698E-01-5.54665799E-02-2.85316774E-02
 5  8 3.32875149E-02-2.49061710E-02-1.34239981E-02 1.54525931E-02 3.63491957E-03
 5  9-2.05885297E-03-1.57606660E-03 4.82554230E-03-5.67094481E-03-3.08078849E-03
 5 10 1.66837829E-02 3.21292517E-04-5.30221104E-04 8.92152351E-04-3.83046683E-03
 5 11 1.90595899E-02 5.44752710E-03 8.69167418E-04 4.14942194E-03 1.57570505E-03
 5 12-1.66865632E-01 3.39503995E-01 3.46885420E-01 5.54019436E-02 2.97632464E-02
 5 13 3.22650806E-02 2.48825188E-02 1.39894941E-02 1.49795251E-02 3.61840369E-03
 5 14-1.85616039E-03-1.76224331E-03 5.03201906E-03 5.49340642E-03 3.10195735E-03
 5 15 1.66795314E-02 3.16301780E-04 5.30292938E-04-1.02387037E-03-3.79715505E-03
 5 16 1.90310469E-02 5.42848461E-03-8.70799394E-04-4.08977693E-03 1.71810159E-03
 6  1-3.90283992E-02 7.58036806E-02-7.42862018E-03-6.45118151E-02-3.00915173E-02
 6  2-3.12531983E-02-1.55929550E-02 6.20349509E-03-4.12035609E-03 4.12507466E-03
 6  3-2.18924925E-03-1.93582541E-03 1.01927723E-02 9.84426737E-03 5.24759038E-03
 6  4 3.90100552E-02-7.57638306E-02 7.43643280E-03-6.45998197E-02-2.88784464E-02
 6  5 3.22765168E-02-1.56048436E-02 6.33975669E-03 3.89758662E-03-4.15002875E-03
 6  6 2.53270459E-03 1.61732416E-03-9.82775976E-03 1.02033322E-02 5.20685566E-03
 6  7 1.70168385E-01-3.45911122E-01-3.57528546E-01 5.35834962E-02 2.89525099E-02
 6  8-3.34241124E-02 2.62020492E-02 1.21529336E-02-1.56638562E-02-3.48560988E-03
 6  9 2.05458624E-03 1.43102364E-03-4.72202440E-03 5.59574183E-03 2.96190002E-03
 6 10-1.55060601E-02-1.79941357E-03 6.63417676E-04-1.19092802E-03 3.33140986E-03
 6 11-1.19407837E-02 3.16533826E-03-1.97108674E-03-2.30443340E-03-1.03962851E-03
 6 12-1.70183603E-01 3.45939224E-01 3.57576134E-01 5.35296094E-02 3.01945710E-02
 6 13 3.23925379E-02 2.61800991E-02 1.27360386E-02 1.52409594E-02 3.46958747E-03
 6 14-1.85959173E-03-1.60999574E-03 4.92693627E-03 5.42262448E-03 2.98944481E-03
 6 15 1.55151790E-02 1.79821700E-03 6.63487773E-04-1.30603657E-03-3.28995157E-03
 6 16 1.19585254E-02-3.16364853E-03-1.96338075E-03-2.27309607E-03 1.11848985E-03
 7  1-1.49691476E-01 3.08112112E-01 1.75364597E-01 9.75291502E-02-4.16873661E-02
 7  2 2.25954176E-02 3.67106957E-02 1.42431253E-05 1.28222697E-02 2.26479480E-03
 7  3 2.14788263E-03-4.41267743E-03-8.77565876E-03-2.47648366E-04-3.23974742E-04
 7  4-1.49646543E-01 3.07994020E-01 1.75485479E-01-9.75635423E-02 4.24564615E-02
 7  5 2.10776413E-02-3.67834238E-02 5.13601319E-04 1.28031930E-02 2.27126972E-03
 7  6 2.15458828E-03-4.42585800E-03-8.76051624E-03 5.49802354E-04 5.43935448E-05
 7  7 6.01638294E-02-1.30806735E-01-1.54296704E-01-8.76436205E-02-2.62322473E-02
 7  8 4.53521017E-02-4.90021542E-02-1.80570754E-02 2.57220945E-02 3.64196233E-03
 7  9-2.28170039E-03-1.36026194E-03 2.35378050E-03-4.05431715E-03-1.46338847E-03
 7 10 1.10593095E-01-2.65314166E-03-4.97404010E-03 2.58076542E-03-9.78182331E-03
 7 11 1.07713112E-01-1.10989987E-02 1.69712193E-03 9.30383794E-03 5.69926169E-03
 7 12 6.02223782E-02-1.30938346E-01-1.54441338E-01 8.76904830E-02 2.79284442E-02
 7 13 4.44694092E-02 4.90419139E-02 1.90090440E-02 2.51153009E-02 3.64127915E-03
 7 14-2.19006605E-03-1.45121309E-03 2.50183872E-03 3.97437693E-03 1.50347470E-03
 7 15 1.10716204E-01-2.66970467E-03 4.97982668E-03-2.91656856E-03-9.69659681E-03
 7 16 1.07749135E-01-1.10678078E-02-1.68629407E-03-9.10441939E-03 6.02132548E-03
 8  1 1.25852385E-01-2.74599840E-01-1.35543536E-01 7.60043947E-02-1.09853016E-01
 8  2-6.51591666E-03 7.99989991E-03-4.50200033E-02-2.06264702E-02-4.96924494E-04
 8  3 4.00144974E-03-3.50452525E-03-8.52958722E-03-9.57796318E-04 3.20353082E-04
 8  4-1.25884766E-01 2.74672270E-01 1.35520103E-01 7.59053019E-02-1.09576744E-01
 8  5 1.03201933E-02 7.90583418E-03-4.42418630E-02 2.22088938E-02 5.05982644E-04
 8  6-3.97536860E-03 3.46938595E-03 8.47955917E-03-1.25052262E-03 6.20546009E-04
 8  7 4.68918097E-02-1.02954429E-01-1.24469641E-01-1.10812644E-01-1.21123771E-01
 8  8 9.26785934E-02-6.68945443E-02-7.31367541E-02 5.62476959E-02 3.65401880E-04
 8  9 6.93318750E-05-4.34733755E-04 7.17472001E-03-4.76495066E-03-4.48704140E-03
 8 10 1.56480210E-01 6.60673874E-03-3.03894886E-03 5.74671078E-04-1.22510811E-02
 8 11 1.65224925E-01 1.85145223E-02 4.27947515E-03 1.02089141E-02 7.06778049E-03
 8 12-4.68276917E-02 1.02807871E-01 1.24307547E-01-1.10424965E-01-1.24483346E-01
 8 13-8.83070807E-02-6.66576659E-02-7.51726924E-02-5.36129741E-02-3.38234795E-04
 8 14-3.63449398E-04 7.01684194E-04-7.33869073E-03-4.49870828E-03-4.46325398E-03
 8 15-1.56466984E-01-6.61445462E-03-3.03688266E-03 9.91737144E-04 1.22232039E-02
 8 16-1.65223551E-01-1.84965016E-02 4.27594937E-03 9.95954779E-03-7.42102550E-03
 9  1-2.53597449E-03-1.74932932E-03 1.88072494E-02-5.34499196E-02 3.83970856E-02
 9  2 2.92245642E-01-3.71913693E-02-7.09613212E-03 1.14438155E-01 1.22351855E-03
 9  3-2.81515151E-03 1.59163296E-03-2.38020711E-03-1.69509020E-03-7.69506923E-03
 9  4-2.55461672E-03-1.72894458E-03 1.89173309E-02 5.26745849E-02-2.92689462E-02
 9  5 2.93183660E-01 3.70595881E-02 1.06042252E-02 1.13966348E-01 1.23257221E-03
 9  6-2.35989699E-03 1.12732478E-03-2.35524740E-03 1.79813719E-03 7.87326455E-03
 9  7-1.73682713E-02 3.61483215E-02 5.59960812E-02 2.14356088E-01 5.74544703E-02
 9  8 8.95079319E-02 1.31124556E-01 3.19358939E-02 5.29918217E-02-9.48194725E-03
 9  9 9.56549312E-04 8.52539794E-03-4.26683171E-03-1.26549994E-03-2.13132248E-03
 9 10 2.04210716E-01 3.14108888E-02-4.25922954E-03 3.50613534E-03-7.45987947E-03
 9 11-8.24747464E-02 7.23034302E-03 7.65127106E-04-6.58099617E-03 3.58948448E-03
 9 12-1.72388670E-02 3.58830220E-02 5.55620272E-02-2.13377906E-01-5.46637118E-02
 9 13 9.23447460E-02-1.30540671E-01-3.02891670E-02 5.46113203E-02-9.45368635E-03
 9 14 1.05577139E-03 8.39791496E-03-4.24081638E-03 1.44865754E-03 2.44350030E-03
 9 15 2.04415167E-01 3.14219933E-02 4.25266147E-03-3.77832436E-03-7.34125581E-03
 9 16-8.33079785E-02 7.14055978E-03-7.73921449E-04 6.73549549E-03 3.33227376E-03
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71 10 2.01083918E-02-6.87619650E-02-2.76320074E-01-1.90956526E-01-3.73501642E-02
71 11 8.47183896E-02 9.63492117E-02 1.16062833E-01-8.26818960E-02 1.25262273E-01
71 12-6.09951629E-04 2.08688161E-02-9.08106950E-02-4.89316364E-02 1.61914659E-02
71 13 2.86739071E-02 1.77906851E-01-7.21564120E-02-1.24786570E-01 5.20016822E-01
71 14-1.85058367E-01-3.34958455E-01-1.61865839E-02-8.66311002E-03-2.25609772E-01
71 15 2.14128679E-02-6.38979597E-02 2.71590141E-01 1.92276197E-01-4.54727763E-02
71 16 8.01626415E-02 9.20839994E-02-1.10469534E-01 9.07086336E-02 1.26781236E-01
72  1-5.47228049E-02 3.50672188E-01 8.01623499E-01-1.54482294E-01 4.76743866E-01
72  2-1.85075946E-02 1.35811269E-02 1.12447100E-01-8.16965850E-04-4.43182564E-01
72  3 1.42624742E-01 3.00557822E-01 5.11450765E-01-2.93527263E-01-1.42150037E-01
72  4 5.44342076E-02-3.48725018E-01-7.98980159E-01-1.53922632E-01 4.75852328E-01
72  5 1.28628939E-03 1.49156914E-02 1.12902242E-01-3.19100627E-03 4.42673531E-01
72  6-1.50749990E-01-2.91923541E-01-5.20757076E-01-2.74169337E-01-1.45594094E-01
72  7 8.02077032E-03-1.67473368E-01 2.97387209E-01 4.09111478E-02-7.95375169E-03
72  8-1.47944972E-02-1.46883611E-01 1.12578425E-03 6.83200995E-02 1.38404698E-01
72  9-1.98178098E-01 5.97733999E-02-2.07706192E-03-1.16835648E-01 8.45259959E-02
72 10 3.75294311E-01 1.51466531E-01-1.70129178E-01 1.23567209E-01-3.94537899E-01
72 11 5.87034078E-01 2.12100554E-01 6.41575212E-02 6.33670761E-01 3.48838201E-01
72 12-8.09640048E-03 1.69054721E-01-3.00156518E-01 4.10800376E-02-7.26203842E-03
72 13 1.52858033E-02-1.47352238E-01-2.12063450E-03-6.92833908E-02-1.37242196E-01
72 14 2.02901721E-01-6.56595247E-02-3.07107557E-03-1.17803974E-01 7.28218368E-02
72 15-3.76223997E-01-1.51927246E-01-1.69381019E-01 1.37938019E-01 3.91120641E-01
72 16-5.89273396E-01-2.12510258E-01 6.41277648E-02 6.24125791E-01-3.71830743E-01
73  1 1.80540205E-02-8.76710125E-02-1.82598639E-01-1.18443814E-01-1.95823163E-01
73  2 6.27023545E-01-1.27843515E-01-1.50287265E-01 3.39282016E-01 1.54823242E-02
73  3-4.75324079E-01 4.59841755E-01-3.13462038E-01-1.29005426E-01 4.93237307E-01
73  4 1.81963243E-02-8.87412577E-02-1.85439911E-01 1.17705606E-01 2.18286930E-01
73  5 6.19471429E-01 1.28158774E-01 1.62058560E-01 3.34756900E-01 1.63226155E-02
73  6-5.03086470E-01 4.86763855E-01-3.10496798E-01 1.39753993E-01-4.55405362E-01
73  7 5.46315371E-03-1.72790297E-01 3.01126107E-01 2.87877603E-02 9.63661177E-03
73  8-5.47016930E-03-1.83230516E-01-6.90678634E-02 4.69353904E-02 7.83961466E-02
73  9-8.95216202E-02 1.11254736E-02 3.85136887E-02-2.17879104E-01-1.76778787E-02
73 10-5.34317476E-01-1.92425557E-01 2.23219003E-01-1.44539767E-01 5.75234666E-01
73 11 6.08092128E-01 2.49635096E-01 1.49392321E-01 5.98173054E-01 3.35722883E-01
73 12 5.42175964E-03-1.71756737E-01 2.99229848E-01-2.86033387E-02-9.86370230E-03
73 13-5.14754348E-03 1.82267560E-01 7.05639221E-02 4.44707507E-02 7.75601264E-02
73 14-8.81813221E-02 1.06211956E-02 4.55329744E-02 2.16322287E-01 2.22286800E-02
73 15-5.35510034E-01-1.92511853E-01-2.24159836E-01 1.64265983E-01 5.71084116E-01
73 16 6.06776203E-01 2.48916553E-01-1.48282849E-01-5.84783705E-01 3.56204365E-01
74  1 2.71011824E-02-1.26521526E-01-5.60380460E-01 4.33026753E-01 3.19283982E-01
74  2-2.77503905E-01 1.31124444E-01 2.55913143E-01-3.29460630E-01-6.52941764E-02
74  3 4.07294529E-01-3.42000353E-01-3.94937306E-02-8.32966514E-02-5.73332982E-01
74  4-2.70030740E-02 1.26284923E-01 5.59223279E-01 4.33354303E-01 3.28271410E-01
74  5 2.66459484E-01 1.31030593E-01 2.66766581E-01 3.20443057E-01 6.53372148E-02
74  6-4.41173953E-01 3.75836738E-01 3.53884284E-02-8.50357278E-02-5.42108716E-01
74  7-7.32930693E-03 3.74501082E-01-7.28949267E-01-1.90007947E-02 8.46247053E-04
74  8 1.68680383E-02 3.35712394E-01 1.24276724E-01-2.34467233E-01-3.02035230E-01
74  9 1.76155289E-01 1.25879941E-01-2.92271834E-01 2.60025987E-01 1.61816554E-01
74 10-4.73512049E-01-2.49205691E-01 1.70599726E-01-9.45194568E-02 4.47713242E-01
74 11 4.44679990E-01 1.94948968E-01 1.46884975E-01 4.48135749E-01 2.45420621E-01
74 12 7.34356209E-03-3.75101635E-01 7.30196404E-01-1.89889167E-02 1.31924479E-04
74 13-1.69471307E-02 3.35780437E-01 1.33406253E-01 2.30342871E-01 3.01151596E-01
74 14-1.65439740E-01-1.35711856E-01 3.02574070E-01 2.49698543E-01 1.64163711E-01
74 15 4.73688710E-01 2.49349067E-01 1.70446582E-01-1.09428052E-01-4.44255686E-01
74 16-4.44186269E-01-1.94670376E-01 1.46324081E-01 4.38746902E-01-2.60651463E-01
75  1 1.04153483E-02-5.28207386E-02-2.48648889E-01 1.23891678E-01 1.23445465E-01
75  2 5.61396446E-01-1.87618264E-02 1.06465883E-01 3.35753547E-01-2.22044932E-01
75  3-2.34661027E-01 4.56705959E-01-3.66608353E-01-4.89351447E-01 2.31662022E-01
75  4-9.69621806E-03 5.05344277E-02 2.37688272E-01 1.08894827E-01 8.77260617E-02
75  5-5.58616348E-01-2.66826401E-02 8.86573274E-02-3.35976722E-01 2.05720753E-01
75  6 2.60124725E-01-4.65845478E-01 3.41595228E-01-4.86184022E-01 2.18254127E-01
75  7-1.99642573E-03 3.35568774E-01-7.00167993E-01 1.39116094E-02 4.08382916E-03
75  8 1.89065212E-04 3.05398086E-01 1.74434672E-01-1.88139094E-01-1.37103846E-01
75  9 8.43820146E-02 5.27218318E-02-2.91373956E-01 4.12684630E-01 1.60172252E-01
75 10 5.33771099E-01 1.43297568E-01-1.26530788E-01 9.44508007E-02-5.92916086E-01
75 11-2.32810987E-01-4.83723112E-02-6.55621536E-02-1.72937518E-01-1.47068231E-01
75 12 2.14260035E-03-3.54284894E-01 7.38578417E-01 1.42843991E-02 3.79499701E-03
75 13-2.43582438E-05 3.21567519E-01 1.92725801E-01 1.92152489E-01 1.46055186E-01
75 14-7.82330100E-02-6.78221760E-02 3.24582011E-01 4.18422701E-01 1.74577181E-01
75 15-5.37016519E-01-1.42924218E-01-1.27231773E-01 1.16755779E-01 5.93466274E-01
75 16 2.19795963E-01 4.92757374E-02-5.91361426E-02-1.55294482E-01 1.46087407E-01
76  1 1.62374338E-02-5.96484926E-02-2.43136481E-01 3.58433540E-01 3.80451537E-01
76  2 1.27630143E-01 1.86108922E-01 1.45004771E-01 6.93787088E-02-4.07296246E-01
76  3 3.11213194E-01 9.60830527E-02-1.87781080E-01-3.51366294E-01-3.50025378E-01
76  4 1.67781923E-02-6.18191797E-02-2.56604932E-01-3.63912067E-01-3.79860895E-01
76  5 1.64197989E-01-1.84881140E-01-1.46911259E-01 8.84389100E-02-4.17351767E-01
76  6 3.22423903E-01 9.49278635E-02-1.88461516E-01 3.79137442E-01 3.30938827E-01
76  7 3.16812905E-03-4.48202514E-01 9.23936799E-01-1.04725608E-02 6.28431985E-03
76  8 8.43649605E-03-3.99388986E-01-2.61780169E-01 2.52049837E-01 2.39715310E-01
76  9-1.25455475E-01-1.14259835E-01 4.34476700E-01-4.09271894E-01-3.06812139E-01
76 10-8.38684747E-02 6.52178208E-04 1.97818952E-02-5.30778357E-02 1.06885390E-01
76 11-3.08287114E-01 2.15230323E-02-1.55017920E-01-2.94861324E-01-1.59131522E-01
76 12 3.07425454E-03-4.33106845E-01 8.92262302E-01 9.84084658E-03-6.14493510E-03
76 13 8.66235719E-03 3.85318414E-01 2.63054259E-01 2.34515683E-01 2.32532903E-01
76 14-1.02327894E-01-1.30205009E-01 4.35589459E-01 3.75832781E-01 2.99974609E-01
76 15-6.18939212E-02 6.29757108E-03-1.45737797E-02 5.23075948E-02 8.04260118E-02
76 16-3.17671763E-01 1.94454907E-02 1.57545881E-01 2.95717813E-01-1.75328524E-01
 $END   
 POPULATION ANALYSIS
C            5.88110   0.11890   6.00342  -0.00342
C            5.88156   0.11844   6.00326  -0.00326
F            9.33205  -0.33205   9.19242  -0.19242
H            0.89999   0.10001   0.90544   0.09456
H            0.88665   0.11335   0.89901   0.10099
F            9.33212  -0.33212   9.19242  -0.19242
H            0.89995   0.10005   0.90523   0.09477
H            0.88659   0.11341   0.89879   0.10121
 MOMENTS AT POINT    1 X,Y,Z= -0.000000 -0.000000  0.000000
 DIPOLE      -0.001512  0.031012  1.628902
 $GRAD  
E=     -277.9333859900  GMAX=   0.0007507  GRMS=   0.0004176
C            6.    6.6179862163E-04    7.5066564015E-04   -5.2801850388E-04
C            6.   -7.3466880810E-04   -6.0558157551E-04   -5.8675513158E-04
F            9.    1.7285754897E-04    4.8464773295E-04    6.8807050264E-04
H            1.    1.8906427885E-04   -8.0617725056E-05   -3.7438554466E-05
H            1.    1.7363181290E-04    1.2691979114E-05   -7.9058516753E-05
F            9.   -1.2163797488E-04   -5.3985485755E-04    6.7630458731E-04
H            1.   -1.2526613897E-04   -2.7129356640E-05   -6.1299882144E-05
H            1.   -2.1577935122E-04    5.1781639724E-06   -7.1804507339E-05
 $END
-------------------- DATA FROM NSERCH=   1 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6054482519   0.4703246256   0.3574153486
 C           6.0   0.6054882338  -0.4572266121   0.3741980538
 F           9.0   1.6833350216   0.1357198917  -0.2981814963
 H           1.0   0.9478542750  -0.6873178492   1.4010254061
 H           1.0   0.3342579092  -1.3977693865  -0.1428599502
 F           9.0  -1.6833085078  -0.1462921378  -0.2933934327
 H           1.0  -0.9486331269   0.7365469286   1.3751597841
 H           1.0  -0.3344549234   1.3918807658  -0.1928060007
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:27:52 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9334037822, E(NUC)=  124.7358996628,   11 ITERS
 $VEC   
 1  1 5.00936658E-05 2.28539832E-04-3.65642882E-03-2.90219652E-04 1.88726622E-04
 1  2-3.77685742E-05-2.04112452E-03-2.96490267E-04 1.18314510E-03-1.05107565E-04
 1  3 9.78385107E-05 7.26905393E-06 5.54163088E-05 2.46431474E-05-9.08369043E-05
 1  4-1.32665359E-04-5.79493933E-04 9.44153577E-03 9.94509968E-04 3.74802585E-04
 1  5-5.48202639E-04 2.14191825E-03 2.86312709E-03-2.32004706E-03 1.00961487E-04
 1  6-6.52183660E-05-3.57431211E-05 2.21508610E-04-1.78258692E-04-1.37205881E-04
 1  7 9.92948550E-01 3.40143340E-02-1.68881481E-02-9.04863252E-04-5.17131552E-04
 1  8 5.69926680E-04 2.89803252E-03 1.61203460E-03-1.79497282E-03-1.62645015E-04
 1  9 1.18206724E-04 4.44382909E-05-2.94973371E-04 2.89314862E-04 1.45251639E-04
 1 10-9.35714579E-04-1.24838208E-04-2.02451197E-04-2.38838391E-04 2.33337413E-04
 1 11-9.51326735E-04-3.15139000E-04-2.52496786E-04-2.85444950E-04 1.81050141E-04
 1 12 1.63762465E-02 5.34620171E-04-8.76713002E-05 2.25510157E-05 2.13165425E-05
 1 13 1.89336008E-05 1.62127743E-04-5.12014692E-06-1.11941419E-04-8.08867550E-06
 1 14 2.86210855E-05-2.05324100E-05 3.83103838E-05 7.34377607E-06-3.12414766E-05
 1 15 1.29805767E-04-4.84648736E-04 9.76076083E-05 3.81764204E-05-3.54012239E-05
 1 16 3.93690760E-04 9.07740363E-04-8.71618273E-05 2.18720393E-05 4.26390301E-06
 2  1-1.34465438E-04-5.88281715E-04 9.57087494E-03-9.85412581E-04-4.00695113E-04
 2  2-5.33902311E-04-2.07792486E-03-2.93689363E-03-2.25201089E-03 1.04711991E-04
 2  3-6.00652891E-05-4.46467024E-05 2.26131160E-04 1.69555145E-04 1.41134751E-04
 2  4 5.45426494E-05 2.48355828E-04-3.97166578E-03 2.57513337E-04-2.02375738E-04
 2  5-1.28035800E-05 1.97211220E-03 2.44636516E-04 1.24823400E-03-1.08630608E-04
 2  6 1.05678009E-04 2.95259995E-06 4.70850382E-05-2.06607480E-05 9.13758079E-05
 2  7-1.63826775E-02-5.87675895E-04 4.69787233E-04 7.37898819E-06-3.59792455E-06
 2  8 8.85766984E-07-2.58297459E-04-5.20023594E-05-5.27855181E-05-2.68463337E-06
 2  9 2.65940154E-05-2.39093820E-05 4.77732627E-05-1.83158771E-05 2.43341182E-05
 2 10 1.61269790E-04-4.80148816E-04-9.09459833E-05-3.16483366E-05-4.17617043E-05
 2 11 4.25468996E-04 9.18919441E-04 9.56191017E-05-1.23192082E-05-7.64851920E-07
 2 12 9.92948650E-01 3.40154435E-02-1.68950885E-02 9.04512876E-04 5.36573213E-04
 2 13 5.50823641E-04-2.90477634E-03-1.67572388E-03-1.73439936E-03-1.62362391E-04
 2 14 1.08243767E-04 5.41186234E-05-3.06517233E-04-2.79083176E-04-1.47062516E-04
 2 15-9.42203733E-04-1.12626193E-04 1.98793292E-04 2.45673715E-04 2.25704763E-04
 2 16-9.64507949E-04-3.43661917E-04 2.55518397E-04 2.90965466E-04 1.70497011E-04
 3  1 6.04166263E-01 2.16712799E-02-8.42500923E-03-1.10484664E-03 4.35903244E-04
 3  2-1.82445754E-04-1.70790746E-04-1.40267544E-03-1.14098672E-04-4.38239900E-04
 3  3-8.16703454E-05 5.19910246E-04 8.65987881E-04-3.35395979E-05 1.53585764E-05
 3  4 7.88583012E-01 2.87108161E-02-1.34693372E-02 1.14613473E-03-3.16954884E-04
 3  5-2.42404156E-04 1.11025844E-03 8.56610370E-04-2.71675769E-04-3.70799549E-04
 3  6-9.12712937E-05 4.62070842E-04 7.88239829E-04 7.72534202E-06-5.39689201E-06
 3  7 5.40750373E-05 3.14778332E-04-7.39923238E-04 2.61312039E-04 9.04147572E-05
 3  8-1.24943142E-04 9.35359603E-04 8.38408884E-04-8.23180779E-04-3.26847158E-04
 3  9 2.17089600E-04 1.09757558E-04-6.21666270E-04 6.41648996E-04 3.76531356E-04
 3 10-1.20423821E-03 2.75699297E-03 1.69360137E-04-1.89035781E-04 1.01849055E-03
 3 11-1.02747168E-03 3.38125617E-03-4.33760604E-04-7.94439508E-04-4.59958219E-04
 3 12 4.31875488E-05 2.17125475E-04-6.41302260E-04-2.25574947E-04-7.90868787E-05
 3 13-1.03853033E-04-6.72412192E-04-6.74599628E-04-6.08914266E-04-2.23743684E-04
 3 14 1.47596758E-04 7.61469253E-05-5.29757200E-04-4.69690500E-04-2.93018611E-04
 3 15-1.03645907E-03 2.19169154E-03-1.13807356E-04 1.70361755E-04 7.84494921E-04
 3 16-8.66870803E-04 2.89637331E-03 3.81235351E-04 5.73953190E-04-3.77063094E-04
 4  1 7.88466735E-01 2.99127963E-02-2.04882982E-02-3.05773918E-04-4.33633015E-04
 4  2-2.97909856E-04-3.62365507E-03 1.87883799E-03-5.03583522E-04 2.01975500E-04
 4  3-4.31466391E-05-1.58828861E-04-1.88642829E-04-1.73620994E-05 4.91549872E-05
 4  4-6.04014548E-01-2.32402075E-02 1.75879806E-02-7.37080686E-06-5.23345773E-04
 4  5 2.59241565E-04-3.45530853E-03 2.19325857E-03 3.77344933E-04-3.08952200E-04
 4  6 2.35662869E-05 2.85385913E-04 4.06757179E-04-2.24536026E-05 5.51228261E-05
 4  7-3.46454609E-05-3.33087838E-04 2.79200939E-04-1.02640653E-04-4.59209379E-05
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14 14 6.73030805E-03 2.74972793E-03 4.39330965E-03 2.00115801E-04 6.34512480E-03
14 15-7.72112087E-02-2.34742536E-02-3.91780937E-03-1.01802602E-03 1.88636925E-03
14 16-5.86903906E-02 1.26627118E-02 2.70452014E-03 3.57716057E-04-3.75956850E-03
15  1 1.09593261E-03-5.47397194E-03 6.95193201E-04 2.72339412E-03 1.31829331E-01
15  2-1.30592119E-01-1.51682156E-02 4.92720241E-02-3.17598246E-02 1.55824060E-04
15  3 1.38721974E-02-1.40280215E-02 9.34754186E-03-1.36930692E-02-5.09606508E-03
15  4 1.07574418E-03-5.42510803E-03 7.94303462E-04-2.88209276E-03-1.36600909E-01
15  5-1.26162744E-01 1.50871058E-02-5.04321806E-02-3.00407959E-02 1.61156906E-04
15  6 1.41659259E-02-1.43270828E-02 9.86200550E-03 1.33517241E-02 3.95347592E-03
15  7 2.96843029E-03-9.48799093E-03-8.14273567E-03 1.31752624E-01 2.16530987E-01
15  8 3.30026431E-01 8.33882900E-02 1.56842125E-01 2.32934975E-01-3.25906764E-03
15  9-1.37243202E-03 4.63149965E-03-4.31033898E-03-3.66280546E-03-5.29671117E-04
15 10-1.06969848E-01-5.38189980E-02 4.13754882E-03-4.89378493E-03 3.02417774E-04
15 11 1.97475728E-01 9.04952062E-02-4.64915984E-04 3.77168748E-03 2.95322490E-03
15 12 2.97465824E-03-9.50753202E-03-8.16882821E-03-1.31822357E-01-2.04084010E-01
15 13 3.37062889E-01-8.34237506E-02-1.48059030E-01 2.38055391E-01-3.26181555E-03
15 14-1.32508442E-03 4.58689996E-03-4.17327617E-03 3.80922741E-03 7.80180245E-04
15 15-1.06586324E-01-5.35977717E-02-4.14377189E-03 4.88882408E-03 1.24550861E-04
15 16 1.97039648E-01 9.03218520E-02 4.67406029E-04-3.65240424E-03 3.08326718E-03
16  1-5.83875788E-04-4.72309690E-04 3.12001822E-02 7.49244240E-02 6.54883582E-02
16  2-1.81293263E-01 4.52442466E-02 1.67901027E-03-4.92885897E-02 6.94374483E-03
16  3 6.73397424E-03-1.36777191E-02 1.29971893E-02 7.39177856E-04-1.07739523E-02
16  4 6.95636129E-04 1.64132598E-04-3.16860498E-02 7.58272589E-02 7.08975236E-02
16  5 1.78939690E-01 4.54222055E-02 3.03902914E-03 4.92501001E-02-7.02053724E-03
16  6-7.32497742E-03 1.43455147E-02-1.28784561E-02 1.22289856E-03-9.93464720E-03
16  7 3.26720175E-03-9.47484922E-03-1.21341950E-02-3.55858830E-02-2.05072727E-01
16  8-3.31144896E-01-3.29555129E-02-1.40053726E-01-2.30643873E-01 1.07735293E-03
16  9 2.42692814E-03-3.50428107E-03 1.75914788E-03 3.98399470E-03-8.37802343E-04
16 10 2.03766270E-01 9.33126685E-02-1.57247682E-03 2.98748094E-03-3.16667797E-03
16 11-1.85154067E-01-8.10243339E-02 6.44160980E-04-5.17128073E-03 4.41026622E-05
16 12-3.26469796E-03 9.44840788E-03 1.22185371E-02-3.44275257E-02-1.94813052E-01
16 13 3.38500727E-01-3.21154260E-02-1.32915325E-01 2.35695677E-01-1.06177828E-03
16 14-2.49061949E-03 3.55239777E-03-1.62794390E-03 4.05708360E-03-5.99594547E-04
16 15-2.03300226E-01-9.30263281E-02-1.59795493E-03 3.11541978E-03 3.04059826E-03
16 16 1.85731705E-01 8.14666239E-02 6.40108886E-04-5.16721312E-03 1.58000131E-04
17  1 2.27818121E-02-6.22018817E-02-1.02302509E-01-1.98620849E-01 1.83284549E-01
17  2 5.91203445E-02-3.24020163E-02 7.70999494E-02 1.80676725E-02-1.61308041E-02
17  3 5.47451374E-03 1.06562903E-02 1.27224257E-02-2.11393425E-03 6.39280711E-03
17  4 2.27989121E-02-6.22175143E-02-1.02423198E-01 1.98268153E-01-1.81387018E-01
17  5 6.47812867E-02 3.22821444E-02-7.64829260E-02 2.06048171E-02-1.60866245E-02
17  6 5.11189077E-03 1.09747337E-02 1.28519076E-02 1.63560261E-03-6.11404361E-03
17  7-4.50371662E-05-3.04888349E-03 1.81784329E-02-2.79036599E-01 2.73580735E-01
17  8-1.19736640E-01-1.98767037E-01 1.90947775E-01-7.87330361E-02 3.95665247E-03
17  9-2.79658528E-03-1.16006719E-03-1.07031183E-03-3.36793575E-04 2.26956078E-03
17 10 1.45837894E-01 8.00657491E-02 1.45029988E-03-3.28392661E-03-4.42842814E-03
17 11 6.63350823E-02 6.94406366E-02 2.47016649E-03-1.45515837E-03 3.00444936E-03
17 12-2.27532769E-05-3.10561265E-03 1.80709854E-02 2.79282260E-01-2.77065852E-01
17 13-1.11598080E-01 1.98967892E-01-1.93218210E-01-7.30573584E-02 3.96574355E-03
17 14-2.92831994E-03-1.03742361E-03-1.05375535E-03 3.54695126E-04-2.19659648E-03
17 15 1.46869904E-01 8.05338969E-02-1.43254406E-03 3.11016888E-03-4.56023258E-03
17 16 6.55124556E-02 6.90101774E-02-2.47578164E-03 1.58417330E-03 2.95380403E-03
 $END   
 $GRAD  
E=     -277.9334037822  GMAX=   0.0007744  GRMS=   0.0004173
C            6.    5.7198990669E-04    7.1024091821E-04   -6.0956841775E-04
C            6.   -3.7724192101E-04   -7.5230214389E-04   -5.4153025295E-04
F            9.    2.5110207155E-04    7.7436539884E-04    5.7300116197E-04
H            1.   -4.3564330296E-05   -5.2444636450E-05    1.0327271597E-05
H            1.   -7.1038180117E-05    4.5706259185E-05   -3.8961697686E-05
F            9.   -2.8595154570E-04   -6.7520572545E-04    6.5463528230E-04
H            1.   -2.4936960310E-05   -1.2847911607E-05   -1.1860163560E-05
H            1.   -2.0359023812E-05   -3.7512158488E-05   -3.6043189161E-05
 $END
-------------------- DATA FROM NSERCH=   2 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.5987028564   0.4778736966   0.3373230696
 C           6.0   0.5993859693  -0.4657566849   0.3549434981
 F           9.0   1.6922308149   0.1419266528  -0.2820167910
 H           1.0   0.9173027369  -0.7312431029   1.3812704469
 H           1.0   0.3247176982  -1.3862861591  -0.1951847928
 F           9.0  -1.6921661376  -0.1516245788  -0.2768417755
 H           1.0  -0.9206824793   0.7768523214   1.3527585034
 H           1.0  -0.3306908893   1.3792163066  -0.2465614924
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:28:03 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9332839608, E(NUC)=  124.7268881068,   12 ITERS
 $VEC   
 1  1 5.24229676E-05 2.27030824E-04-3.88025285E-03-2.68443972E-04 1.97586773E-04
 1  2-3.21160994E-05-2.03129128E-03-1.17233855E-04 1.25403456E-03-1.01846227E-04
 1  3 9.63866633E-05 5.45956422E-06 5.38473619E-05 1.28032399E-05-9.43660634E-05
 1  4-1.35258607E-04-5.93728135E-04 9.56342246E-03 9.96186741E-04 3.86676232E-04
 1  5-5.17643820E-04 2.08978493E-03 2.94917312E-03-2.28359891E-03 1.13067211E-04
 1  6-6.49230581E-05-4.81441532E-05 2.31208402E-04-1.69498960E-04-1.40777083E-04
 1  7 9.93081939E-01 3.40130311E-02-1.68781981E-02-9.16059970E-04-5.30288795E-04
 1  8 5.37061359E-04 2.94268355E-03 1.65248488E-03-1.68486614E-03-1.74599410E-04
 1  9 1.13711550E-04 6.08878598E-05-3.06590058E-04 2.76550406E-04 1.39444432E-04
 1 10-9.27713774E-04-5.69359619E-05-2.08952241E-04-2.47834256E-04 2.23800300E-04
 1 11-9.60847903E-04-3.38086177E-04-2.61467488E-04-2.90704505E-04 1.73502136E-04
 1 12-1.95229640E-03-1.14802136E-04 2.67923841E-04-1.38309089E-06 1.99328373E-05
 1 13 7.27883359E-06 2.46929470E-04-7.92725305E-06-7.70833125E-05-1.24481790E-07
 1 14 2.22649679E-05-2.21404861E-05 4.18925581E-05 1.10485783E-05-3.11537901E-05
 1 15 1.49932596E-04-5.53011692E-04 8.47382549E-05 3.15575579E-05-3.87166607E-05
 1 16 4.00979010E-04 9.03455209E-04-8.71103559E-05 1.52851723E-05 1.90214493E-06
 2  1-1.35497686E-04-6.01183191E-04 9.59147536E-03-9.99222469E-04-4.05906118E-04
 2  2-5.04861640E-04-2.11432664E-03-3.02447342E-03-2.15135678E-03 1.13100272E-04
 2  3-5.62123523E-05-5.68879198E-05 2.36102929E-04 1.62088690E-04 1.39121613E-04
 2  4 5.22325037E-05 2.29263185E-04-3.85468908E-03 2.72542964E-04-1.96598865E-04
 2  5-2.69845393E-05 2.05005829E-03 1.73329154E-04 1.23879785E-03-1.02392360E-04
 2  6 1.02071422E-04 3.20938404E-07 5.34371907E-05-1.54933331E-05 8.94406324E-05
 2  7 1.94601636E-03 1.85584207E-05 2.02014181E-04-1.82259651E-06-2.18094266E-05
 2  8 1.04329500E-05-2.37834095E-04 1.22588455E-05-8.48454372E-05-6.92021015E-07
 2  9 2.45653646E-05-2.38733436E-05 4.03008671E-05-1.16512736E-05 2.98594462E-05
 2 10 1.48464860E-04-5.52393017E-04-8.58776987E-05-3.42238330E-05-3.65520110E-05
 2 11 3.98233270E-04 9.07002940E-04 8.74260140E-05-1.63510735E-05 3.92930889E-06
 2 12 9.93081930E-01 3.40165720E-02-1.68889779E-02 9.16240705E-04 5.47479985E-04
 2 13 5.17450576E-04-2.94415154E-03-1.71108378E-03-1.62807080E-03-1.74509199E-04
 2 14 1.04995340E-04 6.95138584E-05-3.16024344E-04-2.65554052E-04-1.41643257E-04
 2 15-9.39191915E-04-8.06976557E-05 2.06169405E-04 2.53335699E-04 2.13752495E-04
 2 16-9.64072833E-04-3.36139907E-04 2.58828609E-04 2.94786752E-04 1.59567639E-04
 3  1 1.66095440E-01 5.19465134E-03 2.12094568E-03-8.24006696E-04 5.96342962E-04
 3  2-2.31573256E-05 1.52643522E-03-2.10488519E-03 1.60555102E-04-4.64824591E-04
 3  3-7.04863907E-05 5.35310981E-04 8.57494759E-04-2.35974708E-05-8.46523276E-06
 3  4 9.79373442E-01 3.62398131E-02-2.01298487E-02 1.00831955E-03-3.35471682E-05
 3  5-3.18188254E-04 2.59454688E-03-2.92049849E-04-3.63215091E-04-1.83844182E-04
 3  6-9.55190307E-05 2.79363212E-04 5.13759178E-04 2.67431060E-05-4.32943302E-05
 3  7 6.38892283E-05 4.31888948E-04-7.63790194E-04 2.77144257E-04 1.02853339E-04
 3  8-1.27127616E-04 1.26307096E-03 1.04012553E-03-9.59286895E-04-4.84885790E-04
 3  9 2.55006319E-04 2.29879471E-04-7.34208967E-04 7.71498154E-04 4.52733470E-04
 3 10-1.29585872E-03 3.27964942E-03 2.12148433E-04-2.80088405E-04 1.24650144E-03
 3 11-1.13039823E-03 3.65377219E-03-4.53734937E-04-1.00088192E-03-6.04016201E-04
 3 12 1.57536038E-05-5.00461069E-06-3.24407303E-04-1.21605161E-04-3.45400795E-05
 3 13-5.27788030E-05-7.32510553E-05-2.29701791E-04-1.49404959E-04-2.33845633E-06
 3 14 3.55887845E-05-3.32503282E-05-2.39015644E-04-1.11308386E-04-8.56366836E-05
 3 15-5.56557785E-04 7.87240807E-04 8.84681302E-06 5.01096482E-05 2.36805689E-04
 3 16-4.27725969E-04 1.49509950E-03 2.18067330E-04 1.00627253E-04-1.20501948E-04
 4  1 9.79340766E-01 3.65685843E-02-2.20260201E-02-7.88257338E-04-1.86891429E-04
 4  2-3.29183873E-04-3.24543274E-03 1.03149580E-03-4.55296771E-04-3.34732599E-05
 4  3-7.22431471E-05 1.05716407E-04 2.33657454E-04-4.19784991E-05 5.63445986E-05
 4  4-1.65906678E-01-7.14154838E-03 9.22959703E-03 5.20476662E-04-6.21816122E-04
 4  5 1.10380491E-04-2.49986454E-03 2.32883022E-03 2.16997931E-04-4.28971597E-04
 4  6-4.00212750E-05 4.68992872E-04 7.31304576E-04-1.96138887E-05 4.85137921E-05
 4  7-5.62587985E-06-1.56988618E-04-7.34767485E-05 3.19637066E-05-1.93395788E-06
 4  8-1.22214836E-05-3.65520952E-04-1.22302066E-04 1.65501248E-04 1.66989379E-04
 4  9-4.59525556E-05-1.21036823E-04 7.07027005E-06-1.41773142E-04-7.00686513E-05
 4 10-1.34174263E-04-3.13445701E-04-8.53919315E-05 5.34769078E-05-1.82140776E-04
 4 11-4.99566757E-05 3.15845021E-04-7.95706463E-05 2.43507101E-04 8.71550142E-05
 4 12 6.20725206E-05 4.56122297E-04-6.88138323E-04-2.51750782E-04-1.01613305E-04
 4 13-1.12805738E-04-1.30951533E-03-1.05594633E-03-9.18862367E-04-5.12723468E-04
 4 14 2.27455749E-04 2.85267718E-04-7.22347356E-04-7.48296157E-04-4.48099697E-04
 4 15-1.18311299E-03 3.20503364E-03-2.34206129E-04 3.22560673E-04 1.22555931E-03
 4 16-1.05777076E-03 3.33975353E-03 3.97920516E-04 1.00402047E-03-6.37305190E-04
 5  1-5.09252641E-02 9.47401794E-02 2.30618897E-02-4.12119895E-02-3.74335673E-02
 5  2-3.22502625E-02-1.30133425E-03-8.14376775E-03-1.76628859E-03 7.94971727E-03
 5  3-2.94370237E-03-5.00601489E-03 6.40445616E-03 8.37262406E-03 5.55489725E-03
 5  4-5.21934945E-02 9.72079928E-02 2.27486653E-02 4.33346439E-02 3.72624689E-02
 5  5-3.46353198E-02 1.91192567E-03 7.81374273E-03-2.15821771E-03 8.08699255E-03
 5  6-3.36454204E-03-4.72245051E-03 6.42902423E-03-8.93019814E-03-5.80265046E-03
 5  7-1.69758446E-01 3.45364846E-01 3.53178845E-01-5.67573083E-02-2.95845415E-02
 5  8 3.21555970E-02-2.56600738E-02-1.38765994E-02 1.49866610E-02 3.85319250E-03
 5  9-1.97969972E-03-1.87349279E-03 5.07041814E-03-5.55696403E-03-3.05410223E-03
 5 10 1.67933224E-02 2.49210665E-04-4.39267990E-04 1.03278665E-03-3.87086902E-03
 5 11 1.92336700E-02 5.43340851E-03 8.96760246E-04 4.14030487E-03 1.71463978E-03
 5 12-1.64026146E-01 3.33684772E-01 3.41164630E-01 5.49907027E-02 2.96430712E-02
 5 13 3.00160612E-02 2.47839198E-02 1.39544465E-02 1.39945321E-02 3.74235616E-03
 5 14-1.73605692E-03-2.00629924E-03 5.08806481E-03 5.19339551E-03 2.94428434E-03
 5 15 1.63729663E-02 2.42250875E-04 4.40203394E-04-1.11195537E-03-3.72682023E-03
 5 16 1.88673783E-02 5.54094329E-03-8.15564624E-04-3.99871227E-03 1.83510474E-03
 6  1-3.96642558E-02 7.69239555E-02-6.82212683E-03-6.57763471E-02-3.11173364E-02
 6  2-3.00282552E-02-1.55751154E-02 6.07319941E-03-4.23476849E-03 4.58028662E-03
 6  3-2.08815386E-03-2.49213276E-03 1.05473446E-02 9.55551829E-03 5.12934561E-03
 6  4 3.78937494E-02-7.36396469E-02 7.57852897E-03-6.43041725E-02-2.88269702E-02
 6  5 3.00083261E-02-1.55426239E-02 6.51574171E-03 3.92141638E-03-4.29432486E-03
 6  6 2.28673629E-03 2.00758857E-03-9.98371047E-03 9.63852918E-03 4.94332702E-03
 6  7 1.67411020E-01-3.40322911E-01-3.51860217E-01 5.30588501E-02 2.90258872E-02
 6  8-3.12366735E-02 2.60271420E-02 1.21843752E-02-1.46904840E-02-3.57771302E-03
 6  9 1.91648070E-03 1.66123233E-03-4.79705964E-03 5.30506972E-03 2.84115451E-03
 6 10-1.50072016E-02-1.78675803E-03 5.56868874E-04-1.27247428E-03 3.21879123E-03
 6 11-1.13294329E-02 3.37763653E-03-2.00306067E-03-2.16412054E-03-1.06094318E-03
 6 12-1.72988983E-01 3.51642969E-01 3.63484034E-01 5.49844577E-02 3.10939376E-02
 6 13 3.11729178E-02 2.68945194E-02 1.31614138E-02 1.47178322E-02 3.71740274E-03
 6 14-1.80478806E-03-1.91261468E-03 5.15088793E-03 5.30440761E-03 2.93589168E-03
 6 15 1.56764555E-02 1.81090949E-03 5.91936979E-04-1.41535547E-03-3.30448898E-03
 6 16 1.21060374E-02-3.17414404E-03-2.00287206E-03-2.28024219E-03 1.21381183E-03
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17  7-2.55775509E-04-2.63510613E-03 1.99150240E-02-2.77794623E-01 2.79909420E-01
17  8-1.08242275E-01-1.97691204E-01 1.94926684E-01-7.07894193E-02 3.92707874E-03
17  9-2.92284479E-03-1.00423396E-03-1.10103773E-03-3.51797002E-04 2.16848079E-03
17 10 1.39794220E-01 7.56519984E-02 1.65673231E-03-3.18203716E-03-4.41828407E-03
17 11 6.87015837E-02 7.18715246E-02 2.26938818E-03-1.54020621E-03 2.99862055E-03
17 12-1.69154048E-05-3.31876206E-03 1.90643800E-02 2.79445631E-01-2.75579717E-01
17 13-1.17591512E-01 1.99352049E-01-1.91925149E-01-7.72933366E-02 4.00427210E-03
17 14-2.95307300E-03-1.05119911E-03-1.05892424E-03 1.60780720E-04-2.07684035E-03
17 15 1.51546775E-01 8.12663842E-02-1.52317321E-03 2.83829844E-03-4.70883921E-03
17 16 5.87561632E-02 6.63526116E-02-2.30263773E-03 1.88207738E-03 2.98541457E-03
 $END   
 $GRAD  
E=     -277.9332839608  GMAX=   0.0018710  GRMS=   0.0007773
C            6.    1.6065430033E-03    1.4284204681E-03   -3.6573344882E-04
C            6.   -7.8253956098E-04   -1.8709717568E-03   -3.1534626106E-05
F            9.    1.4820167541E-04    1.8151507224E-03   -4.4178583904E-04
H            1.   -5.2598283688E-04   -1.0090436504E-04    3.9918312915E-04
H            1.   -4.8458897920E-04   -9.2979229674E-05    2.9587690428E-04
F            9.    3.3229225995E-05   -1.0830693551E-03   -5.1922186948E-05
H            1.    1.3693749195E-04   -2.7525225812E-04    1.3600877296E-04
H            1.   -1.3180002043E-04    1.7960577413E-04    5.9907290842E-05
 $END
-------------------- DATA FROM NSERCH=   3 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6026317437   0.4760304620   0.3344746124
 C           6.0   0.6018289388  -0.4617366616   0.3503066199
 F           9.0   1.7007482419   0.1399923166  -0.2787072864
 H           1.0   0.9241804608  -0.7300746578   1.3740583252
 H           1.0   0.3364877495  -1.3805963038  -0.2069865779
 F           9.0  -1.7000597234  -0.1513033642  -0.2738898733
 H           1.0  -0.9251443871   0.7774094423   1.3490129818
 H           1.0  -0.3389441483   1.3762910159  -0.2527085580
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:28:15 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9332949065, E(NUC)=  124.5871891847,   12 ITERS
 $VEC   
 1  1 5.72001642E-05 2.60067951E-04-4.12106666E-03-2.37907517E-04 2.07155217E-04
 1  2-2.03323263E-05-2.02576915E-03-6.77032837E-05 1.35879424E-03-1.12355224E-04
 1  3 1.00705656E-04 1.16495675E-05 4.74032292E-05 1.17920233E-05-9.54989852E-05
 1  4-1.36363965E-04-6.05245362E-04 9.74473239E-03 9.97147998E-04 3.91127656E-04
 1  5-5.13984196E-04 2.09206706E-03 2.91063458E-03-2.31574698E-03 1.21667944E-04
 1  6-7.05986186E-05-5.10693257E-05 2.24761711E-04-1.65924675E-04-1.38319283E-04
 1  7 9.92743154E-01 3.40188751E-02-1.69282229E-02-9.24489063E-04-5.23481312E-04
 1  8 5.29701392E-04 2.97791234E-03 1.64436926E-03-1.66529884E-03-1.79677824E-04
 1  9 1.14391101E-04 6.52867226E-05-3.07231657E-04 2.75293024E-04 1.36171803E-04
 1 10-9.43412863E-04-6.06822244E-05-2.02488720E-04-2.39894281E-04 2.21591248E-04
 1 11-9.86197155E-04-3.92039215E-04-2.63440438E-04-2.86521855E-04 1.65711299E-04
 1 12-2.60201795E-02-9.45512907E-04 6.84902473E-04-2.94928781E-05 7.84970672E-06
 1 13-8.46002453E-07 3.44197242E-04 2.91857661E-05-5.72432109E-05 8.41190575E-06
 1 14 1.83044363E-05-2.67163421E-05 4.92895656E-05 1.61038523E-05-2.80013852E-05
 1 15 1.64257662E-04-5.71838846E-04 8.41415149E-05 2.78207121E-05-4.22867037E-05
 1 16 4.40920629E-04 9.31297101E-04-9.37899136E-05 8.00005053E-06-3.16815514E-06
 2  1-1.34256684E-04-5.97054113E-04 9.53441133E-03-1.00828310E-03-4.00781881E-04
 2  2-5.01823361E-04-2.18720289E-03-3.01480850E-03-2.13289301E-03 1.15365548E-04
 2  3-5.57445690E-05-5.96209794E-05 2.36207376E-04 1.60365615E-04 1.35771160E-04
 2  4 4.99677526E-05 2.25293278E-04-3.62532517E-03 2.90417069E-04-1.86905692E-04
 2  5-3.98898276E-05 2.13535690E-03 2.59847855E-04 1.22895905E-03-1.04893259E-04
 2  6 1.02678935E-04 2.21432385E-06 5.82265628E-05-2.00796131E-05 8.45483696E-05
 2  7 2.60139735E-02 8.36872298E-04-2.00033672E-04-1.90098285E-05-3.52891276E-05
 2  8 2.68790067E-05-1.89678329E-04 5.49444430E-05-1.41699192E-04-2.20746627E-07
 2  9 2.53075675E-05-2.50868209E-05 3.27874253E-05-3.53256265E-06 3.30014948E-05
 2 10 1.16769118E-04-5.75494670E-04-9.40406557E-05-4.17276971E-05-2.99475083E-05
 2 11 3.87224361E-04 9.11520011E-04 8.02026730E-05-2.27020810E-05 6.41380793E-06
 2 12 9.92743049E-01 3.40113612E-02-1.69020780E-02 9.21118838E-04 5.45763725E-04
 2 13 5.11950728E-04-2.95458030E-03-1.71011823E-03-1.61374965E-03-1.77465822E-04
 2 14 1.05724433E-04 7.17413894E-05-3.15542295E-04-2.63865170E-04-1.40419963E-04
 2 15-9.36822452E-04-9.37772648E-05 2.06774015E-04 2.51039321E-04 2.10760472E-04
 2 16-9.60185818E-04-3.31251400E-04 2.58459985E-04 2.93537519E-04 1.57095136E-04
 3  1 9.54281533E-01 3.51899913E-02-1.89258064E-02-1.07624294E-03 9.29087853E-05
 3  2-3.09298575E-04-2.27085939E-03 3.13671947E-06-3.27328012E-04-2.26215042E-04
 3  3-9.92733624E-05 3.25488404E-04 5.80569078E-04-4.87063753E-05 4.37170072E-05
 3  4 2.75946422E-01 9.31014751E-03-4.22353064E-04 9.14251700E-04-5.69933567E-04
 3  5-4.19911259E-05-1.14942707E-03 1.97545059E-03 4.64228292E-05-4.71003823E-04
 3  6-7.29010038E-05 5.43904827E-04 8.77738794E-04-4.17113346E-06 2.53412376E-05
 3  7 2.29116026E-05 4.79995347E-05-4.08817429E-04 1.52268616E-04 4.34494748E-05
 3  8-6.69247360E-05 2.33183458E-04 3.30704335E-04-2.64363286E-04-6.83116950E-05
 3  9 7.40931381E-05-5.78144310E-06-3.08322614E-04 2.06743750E-04 1.27774819E-04
 3 10-6.87848251E-04 1.14608570E-03 2.03439399E-05-7.89012177E-05 3.75378234E-04
 3 11-5.40535924E-04 1.87851899E-03-2.62999895E-04-2.18299226E-04-1.85311734E-04
 3 12 6.28466294E-05 4.09410923E-04-7.69435251E-04-2.82772999E-04-1.05423177E-04
 3 13-1.23863508E-04-1.21509948E-03-1.05402836E-03-8.87755223E-04-4.70666203E-04
 3 14 2.22384858E-04 2.48281345E-04-7.54769423E-04-7.18329595E-04-4.35618588E-04
 3 15-1.30684157E-03 3.22251048E-03-2.06424964E-04 3.16229159E-04 1.20384774E-03
 3 16-1.13796928E-03 3.66674368E-03 4.47910809E-04 9.47002448E-04-6.29059346E-04
 4  1-2.75761737E-01-1.11911334E-02 1.14270503E-02-4.00164378E-04 6.13672128E-04
 4  2 1.23628093E-04 2.79261763E-03-2.33095197E-03 3.38416234E-04-4.15787125E-04
 4  3-2.32617602E-05 4.39048886E-04 6.71635867E-04-7.60755782E-07-3.02874322E-05
 4  4 9.54227632E-01 3.57365942E-02-2.20942838E-02 7.00996257E-04 2.36461761E-04
 4  5-3.38039308E-04 3.41863194E-03-1.25868060E-03-4.11267456E-04 3.71156367E-05
 4  6-8.10787211E-05 4.39630844E-05 1.33275215E-04 3.42958966E-05-4.97583159E-05
 4  7 5.99689072E-05 4.55291020E-04-6.67054850E-04 2.41751669E-04 9.16304518E-05
 4  8-1.09143005E-04 1.29731971E-03 1.00089128E-03-9.31067788E-04-5.18354284E-04
 4  9 2.52054469E-04 2.66299815E-04-6.64602910E-04 7.50570983E-04 4.31179758E-04
 4 10-1.11448139E-03 3.08323529E-03 2.30314380E-04-2.78387156E-04 1.19811981E-03
 4 11-9.99547181E-04 3.14962723E-03-3.65651670E-04-1.00438914E-03-5.88808754E-04
 4 12-1.26466986E-05-2.02979957E-04 9.84722968E-06-5.11766000E-07 1.23948643E-05
 4 13 9.42039606E-07 4.97564780E-04 2.60538011E-04 2.63900169E-04 2.19440212E-04
 4 14-6.48184786E-05-1.54621733E-04 1.01426157E-04 2.22187733E-04 1.18441120E-04
 4 15 1.29439208E-05-6.75527636E-04 1.06627317E-04-9.27384028E-05-3.18678193E-04
 4 16 7.62644721E-05-9.04285196E-05 2.61187904E-05-3.45307380E-04 1.69239705E-04
 5  1-5.04728823E-02 9.38680367E-02 2.30423607E-02-4.11161938E-02-3.69608094E-02
 5  2-3.17029555E-02-1.11147622E-03-8.12067145E-03-1.73577602E-03 8.03951269E-03
 5  3-2.98601262E-03-5.05350007E-03 6.35474916E-03 8.25700618E-03 5.45818004E-03
 5  4-5.25771199E-02 9.79443738E-02 2.25840308E-02 4.46797276E-02 3.72080488E-02
 5  5-3.45821305E-02 1.91866358E-03 7.73542613E-03-2.18328074E-03 8.34460117E-03
 5  6-3.49751722E-03-4.84708395E-03 6.57856439E-03-9.01497164E-03-5.75712389E-03
 5  7-1.71232049E-01 3.48363311E-01 3.56215836E-01-5.77527136E-02-2.96366694E-02
 5  8 3.21333416E-02-2.60044188E-02-1.38989988E-02 1.49596165E-02 4.00311494E-03
 5  9-2.04954282E-03-1.95357212E-03 5.08781930E-03-5.57199833E-03-3.00759686E-03
 5 10 1.71187094E-02 3.54737639E-04-4.69229927E-04 1.04579262E-03-3.90068635E-03
 5 11 1.93971571E-02 5.35516281E-03 9.05523498E-04 4.13774577E-03 1.78196237E-03
 5 12-1.62519541E-01 3.30648238E-01 3.37988010E-01 5.47430254E-02 2.93041865E-02
 5 13 2.94735618E-02 2.45819616E-02 1.38216578E-02 1.37369348E-02 3.77575418E-03
 5 14-1.74195730E-03-2.03379687E-03 5.04230657E-03 5.11542381E-03 2.87745355E-03
 5 15 1.62842936E-02 2.59139190E-04 4.35612064E-04-1.10250723E-03-3.69047058E-03
 5 16 1.86972672E-02 5.46436731E-03-8.10041028E-04-3.95449612E-03 1.84873977E-03
 6  1-4.02630464E-02 7.80976407E-02-6.70516231E-03-6.62761623E-02-3.13959592E-02
 6  2-3.01002952E-02-1.56285918E-02 5.86906076E-03-4.16573512E-03 4.74852267E-03
 6  3-2.13964067E-03-2.60888199E-03 1.06178331E-02 9.59062170E-03 5.12028177E-03
 6  4 3.76596541E-02-7.32283528E-02 7.90163033E-03-6.43652198E-02-2.83185182E-02
 6  5 2.94825521E-02-1.55567424E-02 6.42031979E-03 3.85443773E-03-4.39726845E-03
 6  6 2.33164328E-03 2.06562518E-03-9.94363956E-03 9.54042851E-03 4.81538933E-03
 6  7 1.65806064E-01-3.37045112E-01-3.48372040E-01 5.31059691E-02 2.85636650E-02
 6  8-3.06734282E-02 2.60096841E-02 1.19613997E-02-1.43789923E-02-3.66662496E-03
 6  9 1.95225043E-03 1.71437453E-03-4.73316963E-03 5.23326699E-03 2.75212953E-03
 6 10-1.50898281E-02-1.81255526E-03 5.86985380E-04-1.26185732E-03 3.19439793E-03
 6 11-1.14866339E-02 3.26387738E-03-1.94683434E-03-2.16362037E-03-1.08748763E-03
 6 12-1.74401361E-01 3.54522808E-01 3.66357237E-01 5.57854480E-02 3.12862088E-02
 6 13 3.11683808E-02 2.72559273E-02 1.32660042E-02 1.46866358E-02 3.83227783E-03
 6 14-1.84704560E-03-1.98523223E-03 5.20095675E-03 5.32546396E-03 2.92417277E-03
 6 15 1.59342103E-02 1.82665370E-03 6.08637403E-04-1.42684723E-03-3.34199228E-03
 6 16 1.24791612E-02-2.97562114E-03-1.97482751E-03-2.34085497E-03 1.24941566E-03
 7  1-1.49772820E-01 3.08373664E-01 1.75415546E-01 9.73747879E-02-4.19419130E-02
 7  2 2.07094121E-02 3.68603383E-02-2.58246587E-04 1.15037330E-02 2.12495952E-03
 7  3 2.25686344E-03-4.38182296E-03-8.80730902E-03-2.51758665E-04-2.82101753E-04
 7  4-1.49633634E-01 3.08050770E-01 1.75426023E-01-9.74436027E-02 4.27414386E-02
 7  5 1.92452157E-02-3.69725155E-02 8.03039050E-04 1.14610892E-02 2.12938764E-03
 7  6 2.25928823E-03-4.38867587E-03-8.79605832E-03 5.46486480E-04 1.95950461E-05
 7  7 6.02440690E-02-1.30892830E-01-1.54868946E-01-8.92253791E-02-2.69186158E-02
 7  8 4.28290306E-02-4.97821508E-02-1.85214817E-02 2.41974309E-02 3.83281536E-03
 7  9-2.25132034E-03-1.58149501E-03 2.45967359E-03-3.86550171E-03-1.41741544E-03
 7 10 1.10113980E-01-2.37748088E-03-4.75576624E-03 2.88461925E-03-9.74539846E-03
 7 11 1.07874544E-01-1.11870891E-02 1.64858907E-03 9.12040290E-03 6.01318174E-03
 7 12 6.03118466E-02-1.31049911E-01-1.55026755E-01 8.92070635E-02 2.86380568E-02
 7 13 4.19305099E-02 4.98004239E-02 1.94811114E-02 2.35862851E-02 3.82741947E-03
 7 14-2.15674355E-03-1.67067592E-03 2.60895379E-03 3.78227728E-03 1.45432931E-03
 7 15 1.10303409E-01-2.40674956E-03 4.76342089E-03-3.20357060E-03-9.66331607E-03
 7 16 1.08072439E-01-1.11246849E-02-1.63170068E-03-8.93484681E-03 6.31754321E-03
 8  1 1.25833766E-01-2.74650551E-01-1.34867598E-01 7.52056516E-02-1.10363599E-01
 8  2-5.81022122E-03 7.89290695E-03-4.59132226E-02-2.05337669E-02-6.72340457E-04
 8  3 4.10478260E-03-3.43244214E-03-8.53421105E-03-8.81754212E-04 3.33258209E-04
 8  4-1.25909297E-01 2.74828350E-01 1.34723376E-01 7.51726597E-02-1.09996909E-01
 8  5 9.44586902E-03 7.65924296E-03-4.51663890E-02 2.21298445E-02 7.09857629E-04
 8  6-4.10627689E-03 3.39641926E-03 8.47923633E-03-1.17376708E-03 6.24837509E-04
 8  7 4.69400271E-02-1.03174681E-01-1.24200288E-01-1.13807995E-01-1.22637196E-01
 8  8 8.76746160E-02-6.89613569E-02-7.39767652E-02 5.31750525E-02 6.37691482E-04
 8  9 1.65075557E-04-8.02767039E-04 7.37784069E-03-4.60863265E-03-4.26360992E-03
 8 10 1.56922875E-01 5.83230916E-03-2.84424489E-03 1.00034382E-03-1.23045034E-02
 8 11 1.64609219E-01 1.85891084E-02 4.19930630E-03 9.90689650E-03 7.45453083E-03
 8 12-4.67079995E-02 1.02665460E-01 1.23576093E-01-1.12686403E-01-1.25669350E-01
 8 13-8.30393192E-02-6.83108846E-02-7.58363657E-02-5.04049312E-02-5.79107209E-04
 8 14-4.67179337E-04 1.04628655E-03-7.52432811E-03-4.32221918E-03-4.22159800E-03
 8 15-1.56867428E-01-5.85558965E-03-2.84469032E-03 1.39553725E-03 1.22638075E-02
 8 16-1.64763003E-01-1.86113775E-02 4.19521751E-03 9.66785845E-03-7.78479329E-03
 9  1-2.75860908E-03-7.67704191E-04 1.84993301E-02-5.46130592E-02 4.04871615E-02
 9  2 2.92451870E-01-3.66966639E-02-4.66837719E-03 1.15976687E-01 1.28171457E-03
 9  3-3.05374148E-03 1.77202691E-03-2.34327620E-03-1.42970824E-03-7.26054279E-03
 9  4-2.79054972E-03-5.90138174E-04 1.79613334E-02 5.66775615E-02-2.79162687E-02
 9  5 2.94017503E-01 3.71411235E-02 9.50486690E-03 1.16293487E-01 1.27287886E-03
 9  6-2.52387166E-03 1.25099280E-03-2.21675734E-03 1.47902144E-03 7.28737506E-03
 9  7-1.54746452E-02 3.22097701E-02 5.00176803E-02 2.00338794E-01 4.96129799E-02
 9  8 1.07249117E-01 1.22483243E-01 2.73360086E-02 6.37400569E-02-9.29027350E-03
 9  9 8.57129250E-04 8.43314425E-03-3.95572214E-03-2.33639934E-03-2.61904770E-03
 9 10 2.04835835E-01 3.07213428E-02-3.86684252E-03 4.00149117E-03-7.48938546E-03
 9 11-9.05405853E-02 5.26027045E-03 7.68814923E-04-6.94786468E-03 3.12764634E-03
 9 12-1.59377077E-02 3.32070915E-02 5.13963760E-02-2.03174397E-01-4.67733460E-02
 9 13 1.05897837E-01-1.24307040E-01-2.56382385E-02 6.28185815E-02-9.32609642E-03
 9 14 1.08070195E-03 8.24539447E-03-3.90505330E-03 2.33293882E-03 2.87815014E-03
 9 15 2.04691263E-01 3.08587099E-02 3.91483424E-03-4.17342647E-03-7.34651980E-03
 9 16-8.84624686E-02 5.30494770E-03-7.47582928E-04 6.98632735E-03 2.95951640E-03
10  1 3.11750764E-03 6.92943090E-04-4.00370461E-02-1.59251001E-01-2.25869205E-01
10  2 3.17706084E-03-2.72181405E-02-8.49152281E-02 3.36458416E-02-1.87357766E-03
10  3 6.68865864E-03-4.81508098E-03 7.48748701E-03 6.83152587E-03 8.40854834E-03
10  4-3.11534489E-03-7.82318748E-04 4.04550798E-02-1.61123216E-01-2.24933127E-01
10  5 8.54689112E-03-2.72830818E-02-8.53511975E-02-2.92774795E-02 1.76737894E-03
10  6-6.10154966E-03 4.33417072E-03-7.36792444E-03 7.18447340E-03 8.93407834E-03
10  7-3.53917018E-02 7.41579105E-02 1.11261976E-01 2.71324785E-01 1.54596840E-02
10  8-1.88131731E-01 1.68022373E-01 8.02591630E-03-1.12950231E-01-6.54497802E-03
10  9 6.39936173E-03 1.45616285E-04-4.56586324E-04 8.80295934E-03 1.85876852E-03
10 10 1.53231397E-02 1.56290945E-02-3.18069110E-03-4.33206917E-03-5.64414706E-04
10 11 1.54292254E-01 6.71593732E-03-2.13555376E-03 5.12364822E-03 5.47278349E-03
10 12 3.50364198E-02-7.34376724E-02-1.10145941E-01 2.67771036E-01 2.06619897E-02
10 13 1.87653812E-01 1.65922661E-01 1.11628952E-02 1.12696212E-01 6.44632005E-03
10 14-6.27730023E-03-1.69019818E-04 6.93233315E-04 8.76793493E-03 2.12092203E-03
10 15-1.30326490E-02-1.52978137E-02-3.09029441E-03-4.38666421E-03 6.46502176E-04
10 16-1.55857774E-01-6.72933345E-03-2.10709699E-03 5.03583028E-03-5.62637479E-03
11  1-4.63711083E-03 4.55607213E-03 2.24854106E-02 2.87177814E-01-8.16866571E-02
11  2 3.86397084E-02 7.97261812E-02-6.27203515E-02 3.60074742E-03-1.09345626E-02
11  3 1.02190981E-02 7.15464516E-04-1.14989388E-02-8.91136470E-03-3.04293881E-03
11  4-4.81951976E-03 4.97687481E-03 2.28466591E-02-2.85895645E-01 8.49798392E-02
11  5 3.58853238E-02-7.93605516E-02 6.35803842E-02 1.61003034E-03-1.10298762E-02
11  6 1.04892139E-02 5.40662244E-04-1.10388559E-02 9.27503691E-03 2.56241429E-03
11  7-2.59979838E-02 5.31931237E-02 7.84238290E-02 1.39463939E-01 2.79977081E-01
11  8-1.85830748E-01 8.72501780E-02 1.70953170E-01-1.14784202E-01 3.32100205E-03
11  9-2.81244443E-03-5.08557617E-04-9.04987506E-03 4.95251265E-03 7.08118195E-03
11 10-4.31128463E-02-9.22899617E-03-4.76647538E-03 2.77172885E-04 4.25331189E-03
11 11-1.99749615E-03 2.45306329E-02-6.81324859E-03 3.61454867E-04-7.70165675E-05
11 12-2.62125062E-02 5.36533295E-02 7.90602587E-02-1.40401659E-01-2.86754075E-01
11 13-1.77338434E-01-8.78787349E-02-1.75165835E-01-1.09636705E-01 3.33103710E-03
11 14-3.24359491E-03-8.74421940E-05-9.19906663E-03-4.67202126E-03-7.00304175E-03
11 15-4.32741503E-02-9.21949225E-03 4.79730473E-03-9.21981417E-05 4.27323776E-03
11 16-1.21380628E-03 2.44796246E-02 6.83766620E-03-3.65044362E-04-3.11074334E-05
12  1 9.85831201E-03-1.26748313E-02-4.48805949E-02-7.39339821E-03-2.76495720E-01
12  2 3.69834650E-02 2.43588259E-02-1.00359026E-01 2.89048187E-02 1.13814774E-02
12  3-2.53856238E-03-8.84291505E-03 9.86045784E-03 4.37681337E-03 7.93209698E-03
12  4 9.65876981E-03-1.23157471E-02-4.38861938E-02 7.92188793E-03 2.77895439E-01
12  5 3.07209536E-02-2.41097234E-02 1.01800007E-01 2.68132644E-02 1.13589823E-02
12  6-2.96600276E-03-8.39297951E-03 9.74447040E-03-4.47091486E-03-8.21698826E-03
12  7 8.89345692E-03-1.62486751E-02-2.43193970E-02-2.12897045E-01 1.26281933E-01
12  8 2.06684833E-01-1.29806083E-01 7.99386940E-02 1.32725537E-01 5.66410875E-03
12  9-8.75443691E-03 3.09032815E-03-3.25373104E-03-8.35379169E-03 4.69267087E-04
12 10-4.73291581E-02-1.84946869E-02 1.80266293E-03 6.04148230E-03 2.86543288E-03
12 11-2.02200546E-01-5.64618336E-02-5.48440300E-03-4.24229579E-03-5.83858938E-03
12 12 9.00369553E-03-1.64587174E-02-2.46333918E-02 2.15276738E-01-1.13937605E-01
12 13 2.08461276E-01 1.31337470E-01-7.20235545E-02 1.33821377E-01 5.72242933E-03
12 14-8.70142145E-03 2.97899212E-03-2.73907597E-03 8.38862126E-03 3.72155685E-05
12 15-4.96342968E-02-1.91771128E-02-1.81746492E-03-5.90788290E-03 3.12487616E-03
12 16-2.01317204E-01-5.60987681E-02 5.42966600E-03 3.98864655E-03-6.02271218E-03
13  1-9.76214731E-03 1.76613471E-02 3.86070027E-02-2.58077305E-02-4.64624101E-03
13  2 2.52695999E-01-2.57565217E-02-1.53044574E-02 9.73935323E-02-1.85250553E-04
13  3 1.47239395E-03-1.28714340E-03-2.55741074E-03-1.89856151E-02 2.46468517E-03
13  4 9.94100786E-03-1.79522049E-02-3.94064297E-02-2.54511007E-02-9.49236110E-03
13  5-2.51221215E-01-2.61380939E-02-1.72185262E-02-9.60625170E-02 3.21836818E-04
13  6-1.40461399E-03 1.08277718E-03 2.02815008E-03-1.91733091E-02 2.51420902E-03
13  7 6.65060253E-03-1.26847747E-02-1.63472361E-02-2.17126084E-01-1.60377909E-01
13  8-1.83990819E-01-1.38447500E-01-1.02732608E-01-1.20685598E-01 7.54797912E-03
13  9 2.08028059E-03-9.62825971E-03 7.46249608E-03 4.02928847E-03 2.26942110E-03
13 10-2.04151964E-01-6.09709628E-02 1.47275605E-03-3.28895375E-03 6.15102715E-03
13 11 9.12294086E-02 2.45329217E-02 2.32656959E-03 5.19686759E-03-2.67671823E-03
13 12-6.55569866E-03 1.25105584E-02 1.61484624E-02-2.13698424E-01-1.56424262E-01
13 13 1.91813706E-01-1.36349163E-01-1.00069333E-01 1.25681049E-01-7.42174712E-03
13 14-2.09052830E-03 9.51227543E-03-7.38599276E-03 4.37413089E-03 2.73706256E-03
13 15 2.04162060E-01 6.08643567E-02 1.46775161E-03-3.57031592E-03-6.02122271E-03
13 16-9.43139348E-02-2.52874416E-02 2.38450335E-03 5.37614781E-03 2.43301092E-03
14  1 3.31191835E-02-6.92560537E-02-1.47290458E-01-6.01604596E-02-2.90081909E-02
14  2-3.20913389E-02-5.22528326E-02 1.77632532E-02-1.06924967E-02 1.93974068E-02
14  3-1.11967025E-02-8.20070427E-03-5.45685561E-03 4.02460080E-03-6.74416124E-03
14  4-3.32519682E-02 6.94744813E-02 1.47810042E-01-6.00992681E-02-2.84699272E-02
14  5 3.35417987E-02-5.19731861E-02 1.79791488E-02 1.00383679E-02-1.94619924E-02
14  6 1.07455940E-02 8.71639845E-03 5.58221290E-03 3.76807418E-03-6.85562479E-03
14  7-3.46840895E-04-1.71918294E-03 2.69144181E-03-2.11401766E-01 3.79235663E-01
14  8-1.78276895E-01-1.46473256E-01 2.56282145E-01-1.22113991E-01 9.29529440E-03
14  9-6.55840283E-03-2.73689157E-03-4.77365634E-03 6.29904028E-04 6.23132974E-03
14 10 7.94252124E-02 2.67208405E-02-3.96784882E-03-9.76584343E-04-1.99600387E-03
14 11 5.83997307E-02-1.39882411E-02 2.68948965E-03 3.84203737E-04 3.73472219E-03
14 12 3.62703160E-04 1.69183032E-03-2.86116451E-03-2.13409809E-01 3.86108674E-01
14 13 1.62483938E-01-1.47840733E-01 2.60991713E-01 1.11397036E-01-9.33110374E-03
14 14 7.00434324E-03 2.32676050E-03 4.75529345E-03 3.82855425E-04 6.05789814E-03
14 15-7.85145640E-02-2.62843032E-02-3.93157522E-03-9.15954265E-04 2.00197900E-03
14 16-5.83998330E-02 1.38726506E-02 2.61590508E-03 2.54165306E-04-3.72071039E-03
15  1 1.04549553E-03-5.70075494E-03 3.13015110E-03 3.20772914E-03 1.25258659E-01
15  2-1.35604177E-01-1.25874767E-02 5.07283643E-02-3.57045763E-02 3.24474098E-04
15  3 1.28687083E-02-1.31931824E-02 8.93848481E-03-1.43366660E-02-5.88648646E-03
15  4 8.94333485E-04-5.38373800E-03 3.73132151E-03-3.06474649E-03-1.29302442E-01
15  5-1.29134041E-01 1.25524116E-02-5.20550093E-02-3.35805842E-02 2.07282782E-04
15  6 1.30919253E-02-1.32992081E-02 9.34651064E-03 1.40523131E-02 4.64918758E-03
15  7 2.82308988E-03-9.27258811E-03-7.01125653E-03 1.28069045E-01 2.02132738E-01
15  8 3.40798153E-01 8.08764755E-02 1.47005940E-01 2.40496170E-01-3.20678326E-03
15  9-1.30381575E-03 4.51059902E-03-4.14321781E-03-3.98022489E-03-8.59909588E-04
15 10-1.05130923E-01-4.97459968E-02 4.04898410E-03-4.75485772E-03 2.73495725E-04
15 11 1.91911636E-01 8.18261403E-02-3.93833447E-04 3.58229468E-03 3.12485461E-03
15 12 2.80951028E-03-9.22743264E-03-6.92657462E-03-1.29069558E-01-1.91244889E-01
15 13 3.52968868E-01-8.16085186E-02-1.39253125E-01 2.49148099E-01-3.23346340E-03
15 14-1.27372204E-03 4.50718544E-03-4.03559405E-03 4.17743728E-03 1.13303136E-03
15 15-1.07881948E-01-5.10624249E-02-4.10306968E-03 4.77777711E-03 1.58236499E-04
15 16 1.93647401E-01 8.30429182E-02 4.14197367E-04-3.52568852E-03 3.19738995E-03
16  1-1.02801684E-03 9.73462679E-04 3.16100718E-02 7.48111382E-02 5.62879786E-02
16  2-1.86402092E-01 4.35308598E-02-4.34224255E-03-4.78771945E-02 6.91558686E-03
16  3 6.18730698E-03-1.31028938E-02 1.23243904E-02-1.02539425E-05-1.24521535E-02
16  4 4.80801229E-04 5.53231030E-04-2.93019079E-02 7.00638773E-02 6.92733218E-02
16  5 1.84662245E-01 4.24436677E-02 2.22223898E-04 4.80889824E-02-6.54424947E-03
16  6-7.14542413E-03 1.36896736E-02-1.27530864E-02 1.42461041E-04-1.15798210E-02
16  7 3.15209311E-03-9.22786959E-03-1.14480961E-02-2.86955092E-02-1.98552671E-01
16  8-3.34879172E-01-2.81841489E-02-1.35307101E-01-2.33368276E-01 9.19651838E-04
16  9 2.34883882E-03-3.26849066E-03 1.65586333E-03 4.13136748E-03-7.55209162E-04
16 10 2.03884210E-01 9.63188441E-02-1.60192638E-03 3.30300023E-03-3.02005515E-03
16 11-1.92262659E-01-9.03821877E-02 7.20908099E-04-5.35491240E-03-1.61508733E-04
16 12-3.23730239E-03 9.56362393E-03 1.12447713E-02-3.27574568E-02-1.77660568E-01
16 13 3.40285486E-01-3.12937423E-02-1.20632466E-01 2.36830722E-01-9.69620672E-04
16 14-2.32201290E-03 3.29163357E-03-1.41436421E-03 4.14770265E-03-4.66484833E-04
16 15-2.06280158E-01-9.76390939E-02-1.51757176E-03 3.23295243E-03 3.03109895E-03
16 16 1.87590088E-01 8.74869923E-02 8.03655703E-04-5.31868985E-03 1.98227305E-04
17  1-2.26345558E-02 6.18889330E-02 1.01582086E-01 1.94186539E-01-1.89460591E-01
17  2-5.28337038E-02 3.00638650E-02-8.00214026E-02-1.83705430E-02 1.59275290E-02
17  3-6.04994428E-03-9.87758473E-03-1.32436821E-02 1.87854793E-03-5.95880326E-03
17  4-2.26569136E-02 6.19336543E-02 1.01899312E-01-1.95379845E-01 1.86215373E-01
17  5-6.41731037E-02-3.05355052E-02 7.92100494E-02-2.24441493E-02 1.60696904E-02
17  6-5.47238519E-03-1.05973052E-02-1.30842292E-02-1.44862460E-03 6.10663949E-03
17  7-6.79301883E-05 3.65832688E-03-1.90135551E-02 2.71837284E-01-2.79679464E-01
17  8 1.19859092E-01 1.94259289E-01-1.95074687E-01 7.87548423E-02-3.95775008E-03
17  9 2.86026971E-03 1.09748037E-03 1.24236453E-03 1.52438517E-04-2.17368030E-03
17 10-1.46920367E-01-7.83317194E-02-1.50662019E-03 3.11842308E-03 4.61726882E-03
17 11-6.66620940E-02-7.07047831E-02-2.31365701E-03 1.62581315E-03-3.18173605E-03
17 12 7.70786575E-06 3.41281882E-03-1.92239170E-02-2.72413805E-01 2.86894776E-01
17 13 1.01517612E-01-1.94439178E-01 1.99811079E-01 6.59746317E-02-3.93565605E-03
17 14 3.04136191E-03 8.94294141E-04 1.22722935E-03-3.03939024E-04 2.10358091E-03
17 15-1.41371844E-01-7.56485476E-02 1.56916077E-03-3.05696662E-03 4.63782469E-03
17 16-7.14737553E-02-7.28211154E-02 2.34894554E-03-1.58618954E-03-3.13656613E-03
 $END   
 $GRAD  
E=     -277.9332949065  GMAX=   0.0008764  GRMS=   0.0004012
C            6.    8.7641823929E-04    2.4745668866E-04   -1.7151503158E-04
C            6.   -8.2147894225E-04    2.2217338263E-04   -1.4413193009E-04
F            9.    4.2835070079E-04   -4.0146688858E-04    5.0213901826E-04
H            1.    6.2191457228E-04    2.1694765089E-04   -1.4257320808E-04
H            1.    3.8972404840E-04    1.7677062176E-04   -2.5705195267E-04
F            9.   -6.9150804286E-04   -8.0598481678E-05    2.1567804155E-04
H            1.   -5.1822607609E-04   -2.4029740382E-04   -1.1207416845E-05
H            1.   -2.8519451768E-04   -1.4098557040E-04    8.6624737747E-06
 $END
-------------------- DATA FROM NSERCH=   4 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6009581659   0.4771528093   0.3326135519
 C           6.0   0.6005616667  -0.4639339585   0.3490984679
 F           9.0   1.6987320687   0.1414130386  -0.2775236451
 H           1.0   0.9172712455  -0.7370059954   1.3732868656
 H           1.0   0.3322994805  -1.3811381193  -0.2097688494
 F           9.0  -1.6983428479  -0.1519289901  -0.2725730373
 H           1.0  -0.9183133716   0.7843507794   1.3469060560
 H           1.0  -0.3338734651   1.3746338036  -0.2576395373
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:28:26 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9333064699, E(NUC)=  124.6594305075,   11 ITERS
 $VEC   
 1  1 5.59717022E-05 2.48965529E-04-4.06894900E-03-2.45267337E-04 2.04785238E-04
 1  2-2.37709584E-05-2.03074528E-03-5.81963112E-05 1.33805647E-03-1.08988775E-04
 1  3 9.89714921E-05 1.00172829E-05 4.93738412E-05 1.08882378E-05-9.59463881E-05
 1  4-1.35712448E-04-5.98467008E-04 9.70380304E-03 9.97939203E-04 3.91314417E-04
 1  5-5.10820854E-04 2.08064032E-03 2.93383428E-03-2.30610272E-03 1.18783711E-04
 1  6-6.75129888E-05-5.12707220E-05 2.26035698E-04-1.64234671E-04-1.39021010E-04
 1  7 9.92876454E-01 3.40191743E-02-1.69165909E-02-9.23754569E-04-5.27617564E-04
 1  8 5.28032452E-04 2.97302565E-03 1.65249653E-03-1.65651350E-03-1.79465519E-04
 1  9 1.13463708E-04 6.60018110E-05-3.08460082E-04 2.73678555E-04 1.36309987E-04
 1 10-9.36259838E-04-4.55331573E-05-2.06020661E-04-2.43736303E-04 2.21718155E-04
 1 11-9.80175475E-04-3.79974139E-04-2.63986055E-04-2.89051623E-04 1.67043101E-04
 1 12-2.03006432E-02-7.50516392E-04 5.91704671E-04-2.33741667E-05 1.16020611E-05
 1 13 8.90282754E-07 3.23937994E-04 1.66741497E-05-6.16232296E-05 6.76112609E-06
 1 14 1.88005473E-05-2.55616734E-05 4.73403728E-05 1.46907556E-05-2.91595985E-05
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12  5 2.86388711E-02-2.46194666E-02 1.01558027E-01 2.61485305E-02 1.13302456E-02
12  6-2.86713192E-03-8.46311370E-03 9.67241632E-03-4.66168686E-03-8.06818332E-03
12  7 8.88079859E-03-1.61960507E-02-2.42679197E-02-2.14385613E-01 1.23350593E-01
12  8 2.04613172E-01-1.30718579E-01 7.80399169E-02 1.31311977E-01 5.73437568E-03
12  9-8.72188905E-03 2.98751337E-03-3.11188265E-03-8.30279146E-03 4.49429022E-04
12 10-5.04178224E-02-1.94589698E-02 1.80428056E-03 5.99850916E-03 2.98528864E-03
12 11-2.00993524E-01-5.60454679E-02-5.50351050E-03-4.16304435E-03-5.89849452E-03
12 12 8.81977935E-03-1.60790689E-02-2.41454110E-02 2.11867440E-01-1.16358500E-01
12 13 2.10972375E-01 1.29126682E-01-7.35522342E-02 1.35397651E-01 5.63474866E-03
12 14-8.74263793E-03 3.10788927E-03-2.84082296E-03 8.45180334E-03 9.23108786E-05
12 15-4.77634108E-02-1.86647571E-02-1.78248181E-03-5.94217533E-03 3.10551605E-03
12 16-2.02377141E-01-5.63570839E-02 5.51475829E-03 4.03108142E-03-6.01853815E-03
13  1-9.88947117E-03 1.78945711E-02 3.90677822E-02-2.59526473E-02-1.57191016E-03
13  2 2.51809592E-01-2.60979282E-02-1.43838762E-02 9.73495540E-02-3.78387392E-04
13  3 1.57925317E-03-1.20086577E-03-2.64110011E-03-1.89556556E-02 2.45113383E-03
13  4 9.80338828E-03-1.78150120E-02-3.86639021E-02-2.59567828E-02-1.34231934E-02
13  5-2.51647899E-01-2.58861696E-02-1.89273732E-02-9.69679885E-02 2.46590682E-04
13  6-1.41915250E-03 1.17256182E-03 1.85741393E-03-1.90033760E-02 2.68123512E-03
13  7 6.39467343E-03-1.21720085E-02-1.56205629E-02-2.11973813E-01-1.62997733E-01
13  8-1.88745237E-01-1.35202913E-01-1.04379039E-01-1.23691621E-01 7.38429238E-03
13  9 2.26067670E-03-9.64496908E-03 7.52450121E-03 4.22045182E-03 2.30658806E-03
13 10-2.03309153E-01-6.04140881E-02 1.40889023E-03-3.40724192E-03 6.12316308E-03
13 11 9.44403324E-02 2.52201495E-02 2.41072298E-03 5.27933646E-03-2.55470670E-03
13 12-6.49946353E-03 1.23580137E-02 1.59359698E-02-2.14074917E-01-1.55307106E-01
13 13 1.91599642E-01-1.36485018E-01-9.93512989E-02 1.25505722E-01-7.42154916E-03
13 14-2.02740842E-03 9.44895758E-03-7.35213634E-03 4.37268007E-03 2.78579064E-03
13 15 2.04137204E-01 6.07093495E-02 1.44044951E-03-3.54459269E-03-6.04610315E-03
13 16-9.23756248E-02-2.45972029E-02 2.33978313E-03 5.33770497E-03 2.44044919E-03
14  1 3.31149582E-02-6.93355698E-02-1.46287173E-01-6.00366709E-02-2.89929733E-02
14  2-3.21357476E-02-5.18145797E-02 1.74619032E-02-1.00812102E-02 1.94476756E-02
14  3-1.12046551E-02-8.24302058E-03-5.38595335E-03 3.92700991E-03-6.78740182E-03
14  4-3.31534189E-02 6.93867442E-02 1.46425165E-01-5.98605284E-02-2.81927211E-02
14  5 3.33696350E-02-5.16806012E-02 1.77045114E-02 9.41351017E-03-1.94844021E-02
14  6 1.07661114E-02 8.71829067E-03 5.52922761E-03 3.69617633E-03-6.90694509E-03
14  7-3.45614291E-04-1.73924996E-03 2.77557765E-03-2.13299018E-01 3.78778361E-01
14  8-1.77997086E-01-1.47822748E-01 2.56007908E-01-1.21810794E-01 9.34802536E-03
14  9-6.61610322E-03-2.73192214E-03-4.72566527E-03 6.06010108E-04 6.21915859E-03
14 10 7.97961736E-02 2.71397888E-02-3.93238744E-03-9.63339141E-04-2.00547537E-03
14 11 5.77955033E-02-1.44757592E-02 2.74015348E-03 3.53113827E-04 3.73565073E-03
14 12 3.54025371E-04 1.72206731E-03-2.84090799E-03-2.13991007E-01 3.85116480E-01
14 13 1.63238445E-01-1.48298080E-01 2.60349996E-01 1.11824379E-01-9.36042097E-03
14 14 7.02505416E-03 2.33536682E-03 4.72589704E-03 4.00988111E-04 6.04176239E-03
14 15-7.92502354E-02-2.68540777E-02-3.92048851E-03-8.96103179E-04 2.02274526E-03
14 16-5.78187541E-02 1.44032958E-02 2.69946376E-03 2.24214934E-04-3.73181197E-03
15  1 1.06031764E-03-5.76394236E-03 3.24940459E-03 2.45650727E-03 1.25492790E-01
15  2-1.35296839E-01-1.24897462E-02 5.15201549E-02-3.56603297E-02 2.97948144E-04
15  3 1.27667581E-02-1.30647062E-02 8.95481248E-03-1.43983858E-02-5.90392836E-03
15  4 9.88329733E-04-5.60051988E-03 3.50144800E-03-2.44969630E-03-1.29953223E-01
15  5-1.29960608E-01 1.24469847E-02-5.28158593E-02-3.36808023E-02 2.43690056E-04
15  6 1.30491089E-02-1.32927990E-02 9.42844229E-03 1.40864255E-02 4.75887999E-03
15  7 2.83065344E-03-9.36179401E-03-6.69032234E-03 1.27088821E-01 2.01862857E-01
15  8 3.42655292E-01 8.00824105E-02 1.46821673E-01 2.41785422E-01-3.19049871E-03
15  9-1.31982239E-03 4.51032110E-03-4.15299763E-03-4.00453414E-03-8.98816799E-04
15 10-1.05608858E-01-4.99777925E-02 4.01772378E-03-4.80493911E-03 2.41980231E-04
15 11 1.92688889E-01 8.21129491E-02-3.43817287E-04 3.57164395E-03 3.11891408E-03
15 12 2.82860315E-03-9.35035871E-03-6.67648866E-03-1.27649893E-01-1.90079418E-01
15 13 3.52086184E-01-8.04900886E-02-1.38476015E-01 2.48559714E-01-3.20629016E-03
15 14-1.27004832E-03 4.47633848E-03-4.02726863E-03 4.17631318E-03 1.15666701E-03
15 15-1.06810088E-01-5.05137700E-02-4.05205647E-03 4.80990326E-03 9.96577057E-05
15 16 1.93375841E-01 8.25913476E-02 3.56464012E-04-3.48170337E-03 3.22225870E-03
16  1-1.01019836E-03 7.81187809E-04 3.17962580E-02 7.34063906E-02 5.79064652E-02
16  2-1.87151511E-01 4.31960303E-02-4.03166621E-03-4.79775727E-02 6.69372910E-03
16  3 6.28225262E-03-1.29759817E-02 1.24563439E-02-2.05659081E-04-1.25942926E-02
16  4 8.48530740E-04-3.24163984E-04-3.11678294E-02 7.19926117E-02 6.67963515E-02
16  5 1.85442082E-01 4.28031406E-02-1.24743901E-03 4.82483439E-02-6.58914684E-03
16  6-7.10608860E-03 1.36952354E-02-1.26001821E-02 1.06377248E-04-1.17805433E-02
16  7 3.18226604E-03-9.39867857E-03-1.11267105E-02-2.93499558E-02-1.95600578E-01
16  8-3.33783133E-01-2.88165259E-02-1.33199302E-01-2.32478394E-01 9.11413395E-04
16  9 2.34350169E-03-3.25491509E-03 1.59688679E-03 4.10927241E-03-7.43700660E-04
16 10 2.04922107E-01 9.74743848E-02-1.48274798E-03 3.30155998E-03-3.03691522E-03
16 11-1.92023423E-01-9.04040519E-02 6.89933110E-04-5.36721153E-03-1.05450204E-04
16 12-3.22541204E-03 9.55075301E-03 1.11210954E-02-3.00514271E-02-1.80793155E-01
16 13 3.39619863E-01-2.94224987E-02-1.22828640E-01 2.36365354E-01-9.16845326E-04
16 14-2.36858636E-03 3.28543169E-03-1.41317731E-03 4.15162358E-03-4.93633837E-04
16 15-2.05465319E-01-9.77420841E-02-1.45885370E-03 3.32894875E-03 2.96542780E-03
16 16 1.90074198E-01 8.93200614E-02 7.27397537E-04-5.33955670E-03 2.43086830E-04
17  1-2.27699436E-02 6.21119834E-02 1.01918503E-01 1.95191526E-01-1.89100092E-01
17  2-5.45416074E-02 3.05012949E-02-8.01608107E-02-1.89194395E-02 1.58852677E-02
17  3-5.90515880E-03-9.98010891E-03-1.32443057E-02 1.81292788E-03-6.15630409E-03
17  4-2.28187849E-02 6.22058287E-02 1.02187440E-01-1.95450848E-01 1.86723131E-01
17  5-6.25942485E-02-3.05967665E-02 7.93982381E-02-2.21400467E-02 1.59067930E-02
17  6-5.45177702E-03-1.04550160E-02-1.32536619E-02-1.34333874E-03 6.07616485E-03
17  7 2.32895710E-05 3.39565987E-03-1.93974774E-02 2.73428033E-01-2.79768396E-01
17  8 1.15924457E-01 1.95231572E-01-1.95057347E-01 7.60528657E-02-3.94005231E-03
17  9 2.87914318E-03 1.06090913E-03 1.20091669E-03 2.01726010E-04-2.14906772E-03
17 10-1.45194266E-01-7.75096197E-02-1.60351284E-03 3.12355076E-03 4.58096654E-03
17 11-6.71220442E-02-7.10460485E-02-2.29503613E-03 1.63363920E-03-3.14792227E-03
17 12 3.79473614E-05 3.33576613E-03-1.94052020E-02-2.73913603E-01 2.84663926E-01
17 13 1.03582917E-01-1.95499650E-01 1.98257218E-01 6.74562922E-02-3.93751736E-03
17 14 3.02693611E-03 9.10581250E-04 1.18540091E-03-2.75703117E-04 2.07379671E-03
17 15-1.43550625E-01-7.67053316E-02 1.61907690E-03-2.99583018E-03 4.66395273E-03
17 16-6.86380894E-02-7.16238327E-02 2.31765778E-03-1.69306779E-03-3.09775805E-03
 $END   
 $GRAD  
E=     -277.9333064699  GMAX=   0.0004098  GRMS=   0.0001835
C            6.    4.0984482252E-04    3.5611247364E-04   -1.7196093351E-04
C            6.   -3.5658091663E-04   -1.5392239749E-04   -9.4954581171E-05
F            9.    6.3447715541E-05    2.6620344096E-04    1.4324141394E-04
H            1.    4.9780217639E-05    2.9032434150E-05   -7.5561920001E-05
H            1.    7.1853618968E-05    2.2329889422E-06    1.9628119004E-05
F            9.   -1.4287052940E-04   -3.8922892492E-04    5.3761198997E-05
H            1.   -5.4027872733E-05   -1.2751492327E-04   -6.8736192785E-06
H            1.   -4.1447045296E-05    1.7084907838E-05    1.3272031619E-04
 $END
-------------------- DATA FROM NSERCH=   5 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6008376817   0.4765758685   0.3317721147
 C           6.0   0.6009826271  -0.4644290855   0.3488294152
 F           9.0   1.6989265012   0.1418405758  -0.2770650861
 H           1.0   0.9164983431  -0.7381584207   1.3733073204
 H           1.0   0.3325821247  -1.3812324756  -0.2107575388
 F           9.0  -1.6989204122  -0.1516058980  -0.2720622921
 H           1.0  -0.9173945456   0.7860345200   1.3456700336
 H           1.0  -0.3335265454   1.3728117395  -0.2604851171
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:28:36 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9333070816, E(NUC)=  124.6610574615,   11 ITERS
 $VEC   
 1  1 5.50288023E-05 2.44025549E-04-4.00430900E-03-2.52263893E-04 2.01776905E-04
 1  2-2.75264488E-05-2.04876108E-03-7.38333136E-05 1.32727193E-03-1.08036025E-04
 1  3 9.84705787E-05 9.56544645E-06 5.10843876E-05 1.15266421E-05-9.51144677E-05
 1  4-1.35287137E-04-5.96416853E-04 9.67948172E-03 9.99909900E-04 3.90657342E-04
 1  5-5.10245603E-04 2.08836080E-03 2.94009080E-03-2.30186564E-03 1.17578471E-04
 1  6-6.63976317E-05-5.11808394E-05 2.26652803E-04-1.63623280E-04-1.38432845E-04
 1  7 9.92997090E-01 3.40229593E-02-1.69170632E-02-9.23880352E-04-5.28806680E-04
 1  8 5.27497478E-04 2.97171721E-03 1.65538215E-03-1.65427290E-03-1.79425383E-04
 1  9 1.13255389E-04 6.61699938E-05-3.08669804E-04 2.73165879E-04 1.36457398E-04
 1 10-9.33658005E-04-4.38539619E-05-2.07031521E-04-2.44716599E-04 2.21603589E-04
 1 11-9.77996438E-04-3.74550493E-04-2.63542949E-04-2.89854867E-04 1.67256932E-04
 1 12-1.31315203E-02-5.05947110E-04 4.72284686E-04-1.70443314E-05 1.57288508E-05
 1 13 4.75435587E-06 3.04630226E-04 3.68319298E-06-7.40435447E-05 5.93901243E-06
 1 14 1.92624455E-05-2.52014580E-05 4.50837101E-05 1.26384340E-05-3.02131320E-05
 1 15 1.54761826E-04-5.85655902E-04 8.37074210E-05 3.03245642E-05-3.98132180E-05
 1 16 4.21205178E-04 9.20724874E-04-9.05614309E-05 1.15811935E-05-7.40471661E-07
 2  1-1.34047967E-04-5.92370843E-04 9.58559440E-03-1.00711699E-03-4.03754492E-04
 2  2-4.97288133E-04-2.14644255E-03-3.02295056E-03-2.15654840E-03 1.15036308E-04
 2  3-5.54970535E-05-5.95392544E-05 2.33845167E-04 1.56126394E-04 1.35990425E-04
 2  4 5.15461040E-05 2.29337202E-04-3.75260562E-03 2.78769149E-04-1.92285940E-04
 2  5-3.37237904E-05 2.10663626E-03 1.99227718E-04 1.26309632E-03-1.05150564E-04
 2  6 1.02578119E-04 2.57244559E-06 5.64214863E-05-1.77090520E-05 8.75305312E-05
 2  7 1.31253000E-02 3.93580006E-04 2.52761652E-05-7.28175987E-06-2.95417810E-05
 2  8 1.93272191E-05-2.26746477E-04 3.74962719E-05-1.17799242E-04 1.22094083E-06
 2  9 2.40777482E-05-2.52986890E-05 3.64700234E-05-7.07654251E-06 3.19290768E-05
 2 10 1.30746350E-04-5.86687004E-04-8.92611209E-05-3.83075351E-05-3.28803946E-05
 2 11 3.95775018E-04 9.12092294E-04 8.38858056E-05-1.92465520E-05 4.30383187E-06
 2 12 9.92997013E-01 3.40220362E-02-1.69122385E-02 9.23671178E-04 5.47501581E-04
 2 13 5.08580576E-04-2.96500377E-03-1.71371694E-03-1.59752453E-03-1.79281585E-04
 2 14 1.05291532E-04 7.39900529E-05-3.17139355E-04-2.61802083E-04-1.38987406E-04
 2 15-9.32367346E-04-6.40159399E-05 2.08599750E-04 2.52893623E-04 2.11491726E-04
 2 16-9.68080629E-04-3.50330160E-04 2.60768631E-04 2.95601830E-04 1.56237685E-04
 3  1 4.93629986E-01 1.74939606E-02-5.63270118E-03-1.05006592E-03 4.92440542E-04
 3  2-1.37102979E-04 3.02008528E-04-1.61839713E-03 7.28052262E-06-4.48026914E-04
 3  3-9.10738471E-05 5.39100762E-04 8.86398210E-04-3.37718081E-05 1.59872850E-05
 3  4 8.62085114E-01 3.15539984E-02-1.56790987E-02 1.14035447E-03-2.42623296E-04
 3  5-2.63409426E-04 1.56208997E-03 5.40589757E-04-2.50812284E-04-3.15360764E-04
 3  6-1.07188184E-04 4.22548947E-04 7.29998441E-04 1.72129641E-05-2.39070974E-05
 3  7 5.81786811E-05 3.51261586E-04-7.57275716E-04 2.76629041E-04 9.65052338E-05
 3  8-1.23699736E-04 1.07301474E-03 9.39841654E-04-8.33379718E-04-4.09094306E-04
 3  9 2.24228373E-04 1.84865933E-04-6.89413621E-04 6.67680018E-04 3.93461334E-04
 3 10-1.26796112E-03 2.96943528E-03 1.67596655E-04-2.54727129E-04 1.10382932E-03
 3 11-1.07982584E-03 3.53807324E-03-4.46720430E-04-8.51854997E-04-5.46016664E-04
 3 12 3.63588018E-05 1.52487857E-04-5.49532197E-04-2.04476157E-04-6.76240076E-05
 3 13-8.83293437E-05-5.29960412E-04-5.81162570E-04-4.52308108E-04-1.87066746E-04
 3 14 1.13964702E-04 7.31020442E-05-4.74040690E-04-3.59291322E-04-2.30121098E-04
 3 15-9.31146885E-04 1.84243200E-03-7.01690642E-05 1.66987759E-04 6.42705330E-04
 3 16-7.60356602E-04 2.56408630E-03 3.43552078E-04 4.35233099E-04-3.37371224E-04
 4  1 8.61989531E-01 3.25272820E-02-2.13665735E-02-4.65000196E-04-3.78899136E-04
 4  2-3.03806571E-04-3.58861290E-03 1.67358593E-03-4.69593095E-04 1.40021771E-04
 4  3-5.24230702E-05-8.75987006E-05-7.33094760E-05-3.02194181E-05 5.95826517E-05
 4  4-4.93463210E-01-1.91941190E-02 1.55716244E-02 1.31117373E-04-5.68958530E-04
 4  5 2.13402211E-04-3.24856734E-03 2.27406599E-03 3.26693555E-04-3.47762765E-04
 4  6 2.27626688E-06 3.45486498E-04 5.10543621E-04-2.72858848E-05 5.86553433E-05
 4  7-2.72681515E-05-2.96859615E-04 2.03121894E-04-6.73120510E-05-3.71316573E-05
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14 14 7.01550168E-03 2.33295680E-03 4.75003548E-03 4.25302075E-04 6.03731173E-03
14 15-7.95597551E-02-2.71033508E-02-3.93043027E-03-8.86506283E-04 2.03246322E-03
14 16-5.77738394E-02 1.44939944E-02 2.71162658E-03 2.22234409E-04-3.73798098E-03
15  1 9.75022034E-04-5.57341388E-03 3.68037591E-03 2.75074316E-03 1.24785844E-01
15  2-1.34852994E-01-1.24507425E-02 5.15116394E-02-3.57708049E-02 2.94240045E-04
15  3 1.26942978E-02-1.29885378E-02 8.85565679E-03-1.44327626E-02-5.88607701E-03
15  4 9.57688605E-04-5.51729372E-03 3.75292725E-03-3.05287815E-03-1.29792677E-01
15  5-1.31055517E-01 1.23011439E-02-5.27666276E-02-3.40384075E-02 3.16734074E-04
15  6 1.30464210E-02-1.33631551E-02 9.42723570E-03 1.41037841E-02 4.85630430E-03
15  7 2.82535242E-03-9.33874611E-03-6.70337754E-03 1.28052532E-01 2.01433296E-01
15  8 3.44754226E-01 8.07731671E-02 1.46521643E-01 2.43223961E-01-3.21027411E-03
15  9-1.31722186E-03 4.52749596E-03-4.15354383E-03-4.02334638E-03-9.18933482E-04
15 10-1.06930858E-01-5.05544777E-02 4.01834289E-03-4.81410999E-03 2.67110380E-04
15 11 1.93346879E-01 8.22751140E-02-3.41763112E-04 3.59461734E-03 3.10802876E-03
15 12 2.84013490E-03-9.37716843E-03-6.77798179E-03-1.28195913E-01-1.88306966E-01
15 13 3.50757348E-01-8.08524922E-02-1.37280426E-01 2.47644452E-01-3.21506777E-03
15 14-1.24119859E-03 4.45626637E-03-4.00631664E-03 4.15929788E-03 1.16233706E-03
15 15-1.06149147E-01-5.01079254E-02-4.02767297E-03 4.79851353E-03 8.89402978E-05
15 16 1.92548361E-01 8.18309723E-02 3.50057755E-04-3.46104144E-03 3.23909771E-03
16  1-8.20731551E-04 2.54352921E-04 3.09017018E-02 7.16583900E-02 6.00751130E-02
16  2-1.87524738E-01 4.27826365E-02-3.04866801E-03-4.79639177E-02 6.54869515E-03
16  3 6.35216104E-03-1.29008562E-02 1.26086707E-02-3.31702927E-04-1.26214351E-02
16  4 1.05889138E-03-9.15789487E-04-3.19913209E-02 7.36961512E-02 6.44450159E-02
16  5 1.85544749E-01 4.31106532E-02-2.24216177E-03 4.81826911E-02-6.72201255E-03
16  6-7.00701697E-03 1.37290295E-02-1.24397939E-02 1.66641821E-04-1.18545130E-02
16  7 3.20603547E-03-9.50073047E-03-1.10266812E-02-3.09666978E-02-1.92034989E-01
16  8-3.33184305E-01-3.00327874E-02-1.30671310E-01-2.31989639E-01 9.29045944E-04
16  9 2.31331298E-03-3.24235892E-03 1.55967540E-03 4.09140389E-03-7.26191843E-04
16 10 2.05841386E-01 9.81416004E-02-1.43778657E-03 3.25623914E-03-3.07596047E-03
16 11-1.90712309E-01-8.96369660E-02 7.11640306E-04-5.36894613E-03-6.36997875E-05
16 12-3.19896864E-03 9.43951354E-03 1.12198514E-02-2.83383304E-02-1.83887768E-01
16 13 3.40078221E-01-2.81351695E-02-1.25014114E-01 2.36752359E-01-8.92136282E-04
16 14-2.39396115E-03 3.28609743E-03-1.44159016E-03 4.16782955E-03-5.15017648E-04
16 15-2.04660570E-01-9.74404792E-02-1.48353514E-03 3.39993019E-03 2.91457156E-03
16 16 1.91919560E-01 9.05947377E-02 7.07396665E-04-5.35544247E-03 3.05291576E-04
17  1-2.27772368E-02 6.21321808E-02 1.02037083E-01 1.95704950E-01-1.89280044E-01
17  2-5.58004913E-02 3.08199285E-02-8.04453252E-02-1.92986294E-02 1.59580691E-02
17  3-5.89254314E-03-1.00655259E-02-1.31784897E-02 1.85718341E-03-6.26319697E-03
17  4-2.28031215E-02 6.21688669E-02 1.02076764E-01-1.94934962E-01 1.87868245E-01
17  5-6.04485287E-02-3.04888296E-02 7.97393760E-02-2.16517147E-02 1.58646576E-02
17  6-5.57462302E-03-1.02900345E-02-1.33743957E-02-1.35902238E-03 5.94507011E-03
17  7 4.31152648E-05 3.34158786E-03-1.94876851E-02 2.72841306E-01-2.81612130E-01
17  8 1.11955088E-01 1.94786757E-01-1.96332815E-01 7.32773349E-02-3.91886726E-03
17  9 2.89555493E-03 1.02331233E-03 1.21226125E-03 2.44279234E-04-2.14751630E-03
17 10-1.42971218E-01-7.63727829E-02-1.64420635E-03 3.17029764E-03 4.55446686E-03
17 11-6.95054985E-02-7.22554321E-02-2.30325528E-03 1.58000413E-03-3.15998927E-03
17 12-5.43597058E-06 3.47497633E-03-1.92916486E-02-2.73248624E-01 2.84020090E-01
17 13 1.05725288E-01-1.95160726E-01 1.97876431E-01 6.89357731E-02-3.93632178E-03
17 14 3.00886203E-03 9.27459748E-04 1.19779956E-03-2.41183576E-04 2.06504036E-03
17 15-1.45343903E-01-7.75129149E-02 1.61465990E-03-2.96917496E-03 4.70109043E-03
17 16-6.75148154E-02-7.11442830E-02 2.31220011E-03-1.74315222E-03-3.10877250E-03
 $END   
 $GRAD  
E=     -277.9333070816  GMAX=   0.0003233  GRMS=   0.0001022
C            6.    2.1287516807E-04   -6.5025234928E-06   -1.5839145087E-04
C            6.   -4.6383387923E-05   -1.1324739433E-04   -7.5150763905E-05
F            9.    2.4019864970E-05    3.2326918651E-04    7.6982108680E-05
H            1.   -1.6147306287E-05    1.2042310240E-07    9.2074098063E-06
H            1.   -1.1184813953E-05    4.4305810977E-07    1.6967998100E-05
F            9.   -1.9491446652E-05   -1.2294218035E-04    9.3288355671E-05
H            1.   -7.5043701368E-05   -1.0558092278E-04    6.3226493066E-07
H            1.   -6.8644386239E-05    2.4440354627E-05    3.6464069569E-05
 $END
-------------------- DATA FROM NSERCH=   6 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6011116369   0.4764115884   0.3329689620
 C           6.0   0.6011192346  -0.4640580730   0.3498643449
 F           9.0   1.6982822072   0.1415352706  -0.2779632216
 H           1.0   0.9179251348  -0.7361640496   1.3743817613
 H           1.0   0.3326055847  -1.3817902319  -0.2081497819
 F           9.0  -1.6982202875  -0.1514606937  -0.2729998021
 H           1.0  -0.9184948940   0.7843254787   1.3470975967
 H           1.0  -0.3332935311   1.3736406818  -0.2575647110
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:28:46 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9333076998, E(NUC)=  124.6647158922,   10 ITERS
 $VEC   
 1  1 5.55972189E-05 2.47054638E-04-4.04344105E-03-2.48257795E-04 2.03442371E-04
 1  2-2.51611126E-05-2.03756531E-03-6.67487717E-05 1.33486423E-03-1.08582676E-04
 1  3 9.87591325E-05 9.82354336E-06 4.99679262E-05 1.12975097E-05-9.57097618E-05
 1  4-1.35442609E-04-5.97013881E-04 9.69219820E-03 9.98292436E-04 3.91078769E-04
 1  5-5.11735509E-04 2.07940329E-03 2.93474837E-03-2.31033209E-03 1.17469368E-04
 1  6-6.69341822E-05-5.05351857E-05 2.25960577E-04-1.64023820E-04-1.38806752E-04
 1  7 9.92931134E-01 3.40209965E-02-1.69170258E-02-9.23160343E-04-5.28054428E-04
 1  8 5.29164506E-04 2.97029373E-03 1.65327962E-03-1.65951542E-03-1.78784943E-04
 1  9 1.13340551E-04 6.54443919E-05-3.08290446E-04 2.73902673E-04 1.36651254E-04
 1 10-9.34638997E-04-4.39832674E-05-2.06256844E-04-2.44139133E-04 2.22291729E-04
 1 11-9.79559885E-04-3.78094322E-04-2.63509822E-04-2.89537545E-04 1.67674355E-04
 1 12-1.74199866E-02-6.51657915E-04 5.43055487E-04-2.05068386E-05 1.29319154E-05
 1 13 2.50146091E-06 3.15178828E-04 1.28425247E-05-6.67585207E-05 6.30640148E-06
 1 14 1.91071703E-05-2.54135718E-05 4.65649137E-05 1.39035935E-05-2.95055527E-05
 1 15 1.58912648E-04-5.81881090E-04 8.31882395E-05 2.92987473E-05-4.08354595E-05
 1 16 4.25707936E-04 9.23032766E-04-9.19230237E-05 1.03241763E-05-1.40104776E-06
 2  1-1.33748738E-04-5.90487145E-04 9.56086352E-03-1.00748848E-03-4.02539311E-04
 2  2-4.98908489E-04-2.15231993E-03-3.02038481E-03-2.15656713E-03 1.13833224E-04
 2  3-5.50370294E-05-5.87961948E-05 2.33888694E-04 1.56742806E-04 1.35839469E-04
 2  4 5.09118402E-05 2.26561316E-04-3.70844960E-03 2.83413377E-04-1.90546638E-04
 2  5-3.57859260E-05 2.11265517E-03 2.16906333E-04 1.25102533E-03-1.04506894E-04
 2  6 1.02254002E-04 2.25289271E-06 5.73021806E-05-1.87458280E-05 8.70040743E-05
 2  7 1.74137551E-02 5.41709963E-04-4.99311439E-05-1.18270712E-05-3.13481611E-05
 2  8 2.15518464E-05-2.11543617E-04 4.27263888E-05-1.24537982E-04 9.72620411E-08
 2  9 2.48204380E-05-2.49177001E-05 3.52774392E-05-5.98764854E-06 3.23999906E-05
 2 10 1.26689359E-04-5.83649066E-04-9.04647237E-05-3.93531746E-05-3.20374308E-05
 2 11 3.91618503E-04 9.10874253E-04 8.28874555E-05-2.04540867E-05 4.99652127E-06
 2 12 9.92931030E-01 3.40190266E-02-1.69083044E-02 9.22683537E-04 5.47336197E-04
 2 13 5.10478468E-04-2.96051372E-03-1.71250305E-03-1.60352046E-03-1.78488634E-04
 2 14 1.05459150E-04 7.30294836E-05-3.16508940E-04-2.62445272E-04-1.39526202E-04
 2 15-9.30869198E-04-6.65976217E-05 2.08916726E-04 2.52974993E-04 2.11993370E-04
 2 16-9.65723095E-04-3.45647381E-04 2.60062472E-04 2.95679205E-04 1.57073415E-04
 3  1 6.21551756E-01 2.23350282E-02-8.88606366E-03-1.10928140E-03 4.27553739E-04
 3  2-1.82923943E-04-2.60408037E-04-1.33956482E-03-6.79323011E-05-4.21586381E-04
 3  3-9.74585790E-05 5.19044960E-04 8.64449458E-04-3.76274124E-05 2.50626676E-05
 3  4 7.74955729E-01 2.81887349E-02-1.30672139E-02 1.14711766E-03-3.27959048E-04
 3  5-2.27725906E-04 1.03740841E-03 8.88658140E-04-1.99349816E-04-3.65857631E-04
 3  6-1.05115195E-04 4.70972826E-04 8.00090586E-04 1.26676266E-05-1.41705648E-05
 3  7 5.32424002E-05 3.01204356E-04-7.17830105E-04 2.62780615E-04 8.95990549E-05
 3  8-1.17604900E-04 9.38114221E-04 8.51877117E-04-7.50675942E-04-3.51983304E-04
 3  9 2.02090820E-04 1.49892484E-04-6.38913463E-04 5.99718806E-04 3.55119086E-04
 3 10-1.20253489E-03 2.71271127E-03 1.43664859E-04-2.26961402E-04 9.97424398E-04
 3 11-1.01388841E-03 3.34587985E-03-4.28924592E-04-7.54033336E-04-4.91993063E-04
 3 12 4.41457930E-05 2.18269155E-04-6.30016891E-04-2.32550721E-04-7.99017135E-05
 3 13-1.00978334E-04-7.11401995E-04-7.16607594E-04-5.74524331E-04-2.59456201E-04
 3 14 1.43936224E-04 1.15519978E-04-5.60782804E-04-4.58221871E-04-2.88097758E-04
 3 15-1.06226767E-03 2.24383297E-03-1.03045496E-04 2.09534976E-04 8.00819247E-04
 3 16-8.81443936E-04 2.94069968E-03 3.85635783E-04 5.70883106E-04-4.19512491E-04
 4  1 7.74835494E-01 2.94146841E-02-2.02343058E-02-2.95317466E-04-4.50424710E-04
 4  2-2.79680180E-04-3.59368632E-03 1.90428845E-03-4.65983920E-04 2.07883619E-04
 4  3-3.77758290E-05-1.70107790E-04-2.09607489E-04-2.42783761E-05 5.66153388E-05
 4  4-6.21401835E-01-2.38636627E-02 1.78209834E-02-4.74569203E-05-5.23894199E-04
 4  5 2.52359995E-04-3.45297850E-03 2.16291998E-03 3.62697383E-04-2.94972780E-04
 4  6 1.93869644E-05 2.75585815E-04 3.90939240E-04-2.92848627E-05 6.13560065E-05
 4  7-3.59682752E-05-3.47392395E-04 3.17313501E-04-1.09513476E-04-5.14947514E-05
 4  8 5.08164966E-05-9.36118328E-04-6.24787465E-04 6.09392928E-04 3.85752748E-04
 4  9-1.62550556E-04-2.23202193E-04 3.66857427E-04-4.94333619E-04-2.79062728E-04
 4 10 5.14959056E-04-1.86414114E-03-1.73805187E-04 1.85649184E-04-7.63992574E-04
 4 11 5.04827950E-04-1.49799396E-03 1.48497619E-04 6.95619882E-04 3.75229669E-04
 4 12 4.66516563E-05 4.04038782E-04-4.63308048E-04-1.63715195E-04-7.22701312E-05
 4 13-7.25354125E-05-1.11641658E-03-8.21099660E-04-7.28397168E-04-4.52654578E-04
 4 14 1.80795400E-04 2.71859178E-04-5.18411348E-04-5.94563445E-04-3.46706439E-04
 4 15-7.63915002E-04 2.40896375E-03-2.01556829E-04 2.64249058E-04 9.53531706E-04
 4 16-7.13737319E-04 2.18897936E-03 2.37998120E-04 8.25197860E-04-5.03061723E-04
 5  1-5.13090274E-02 9.54695674E-02 2.28565853E-02-4.23931186E-02-3.76962355E-02
 5  2-3.22345196E-02-1.42324562E-03-8.00528397E-03-1.73082987E-03 8.15010991E-03
 5  3-3.00150426E-03-5.14860565E-03 6.58173120E-03 8.43867153E-03 5.54874249E-03
 5  4-5.18897415E-02 9.65896009E-02 2.27588849E-02 4.33745822E-02 3.69532710E-02
 5  5-3.40106384E-02 1.65367145E-03 7.84464502E-03-2.08273636E-03 8.22419603E-03
 5  6-3.38589056E-03-4.83830547E-03 6.42709382E-03-8.81438654E-03-5.69483485E-03
 5  7-1.68152984E-01 3.42112144E-01 3.49700536E-01-5.67125739E-02-2.93206500E-02
 5  8 3.15303853E-02-2.55179915E-02-1.37514022E-02 1.46673418E-02 3.90865954E-03
 5  9-1.97918220E-03-1.92947734E-03 5.03023028E-03-5.46137409E-03-2.97526757E-03
 5 10 1.67378601E-02 2.85793080E-04-4.32423697E-04 1.04063184E-03-3.84121615E-03
 5 11 1.91350908E-02 5.41297106E-03 8.72601638E-04 4.09896991E-03 1.75741428E-03
 5 12-1.65660935E-01 3.37040384E-01 3.44489891E-01 5.58903970E-02 2.99780203E-02
 5 13 3.00144493E-02 2.51227020E-02 1.40806108E-02 1.39613911E-02 3.85089097E-03
 5 14-1.76708126E-03-2.08380971E-03 5.14893372E-03 5.20167839E-03 2.92853419E-03
 5 15 1.65178029E-02 2.59542724E-04 4.26291932E-04-1.15433795E-03-3.75415515E-03
 5 16 1.89671770E-02 5.46174319E-03-8.42867211E-04-4.00107153E-03 1.88567299E-03
 6  1-3.93493385E-02 7.63556179E-02-7.13979960E-03-6.57227884E-02-3.08334897E-02
 6  2-2.94847281E-02-1.56040715E-02 6.06651505E-03-4.11083612E-03 4.64057301E-03
 6  3-2.08174640E-03-2.55882661E-03 1.05480914E-02 9.43594501E-03 5.01816519E-03
 6  4 3.85975735E-02-7.49538901E-02 7.47840386E-03-6.51219780E-02-2.92236292E-02
 6  5 3.00745932E-02-1.55865121E-02 6.32487733E-03 3.85996838E-03-4.52763837E-03
 6  6 2.34722157E-03 2.18041680E-03-1.01128500E-02 9.68236367E-03 4.94027968E-03
 6  7 1.68931216E-01-3.43417574E-01-3.54848235E-01 5.40910510E-02 2.93155306E-02
 6  8-3.12249997E-02 2.64453113E-02 1.22987399E-02-1.46305345E-02-3.70954183E-03
 6  9 1.95516892E-03 1.75437291E-03-4.85404072E-03 5.31904525E-03 2.82356757E-03
 6 10-1.52890395E-02-1.77589888E-03 5.69989412E-04-1.29653828E-03 3.26075971E-03
 6 11-1.17322822E-02 3.19514937E-03-1.97936753E-03-2.22685751E-03-1.11315053E-03
 6 12-1.71378921E-01 3.48391946E-01 3.59959791E-01 5.48941376E-02 3.08536665E-02
 6 13 3.05974753E-02 2.68105274E-02 1.30242353E-02 1.43932457E-02 3.76359522E-03
 6 14-1.80483871E-03-1.95875651E-03 5.11815655E-03 5.21850131E-03 2.86836707E-03
 6 15 1.55429879E-02 1.77921061E-03 5.78271974E-04-1.42778466E-03-3.26798892E-03
 6 16 1.20284525E-02-3.11449480E-03-1.98843501E-03-2.24693770E-03 1.22018362E-03
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17  7 2.73830561E-05 3.37485243E-03-1.93747559E-02 2.73150718E-01-2.80713902E-01
17  8 1.13521420E-01 1.95024524E-01-1.95731189E-01 7.43671337E-02-3.92442535E-03
17  9 2.88418634E-03 1.04023901E-03 1.20450331E-03 2.32859105E-04-2.15055778E-03
17 10-1.43929987E-01-7.69218227E-02-1.62840500E-03 3.16175185E-03 4.56353199E-03
17 11-6.86796906E-02-7.18017815E-02-2.31013425E-03 1.59481925E-03-3.15447472E-03
17 12 1.03789777E-05 3.41556023E-03-1.92877728E-02-2.73417713E-01 2.84325239E-01
17 13 1.04510510E-01-1.95227385E-01 1.98084384E-01 6.80881837E-02-3.93213810E-03
17 14 3.01284420E-03 9.19293907E-04 1.19358057E-03-2.63769198E-04 2.07122824E-03
17 15-1.44556258E-01-7.72214712E-02 1.61900011E-03-2.98961855E-03 4.68308638E-03
17 16-6.81934982E-02-7.14705204E-02 2.31711057E-03-1.71749606E-03-3.10078185E-03
 $END   
 $GRAD  
E=     -277.9333076998  GMAX=   0.0003004  GRMS=   0.0000971
C            6.    1.4843542471E-04    4.1116488922E-05   -1.3698526793E-04
C            6.   -6.5932499023E-05   -9.5110511289E-05   -1.0985319932E-04
F            9.    1.3348635622E-05    3.0039949053E-04    1.1696010298E-04
H            1.   -2.6288170519E-06    9.9917568052E-07   -3.3935662807E-07
H            1.    6.9107819103E-06    2.5225706220E-06   -1.7275503625E-06
F            9.   -3.0935289374E-05   -1.9318394666E-04    7.3866976410E-05
H            1.   -3.1722935799E-05   -7.4095570031E-05    1.4265084174E-05
H            1.   -3.7475308307E-05    1.7352303704E-05    4.3813205851E-05
 $END
-------------------- DATA FROM NSERCH=   7 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6011032197   0.4767826708   0.3316594826
 C           6.0   0.6008741258  -0.4643188387   0.3483190264
 F           9.0   1.6991086923   0.1418032848  -0.2767217952
 H           1.0   0.9162272513  -0.7393508263   1.3724955176
 H           1.0   0.3326204502  -1.3804393506  -0.2125599909
 F           9.0  -1.6989878740  -0.1518242930  -0.2718100323
 H           1.0  -0.9159331450   0.7882056779   1.3455311470
 H           1.0  -0.3324643068   1.3720847204  -0.2615404333
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:28:57 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9333071914, E(NUC)=  124.6640348114,   11 ITERS
 $VEC   
 1  1-1.43540435E-04-6.33347115E-04 1.02874357E-02-9.08892313E-04-4.41942255E-04
 1  2-4.72672872E-04-1.54023581E-03-2.90563795E-03-2.43815564E-03 1.38467980E-04
 1  3-7.85624910E-05-5.99054888E-05 2.12952944E-04 1.47244104E-04 1.56072686E-04
 1  4 8.44238831E-05 3.73452779E-04-6.10827927E-03 1.31621743E-05-2.85941468E-04
 1  5 9.77715804E-05 1.50257997E-03-5.64625493E-04 1.81740408E-03-1.31502451E-04
 1  6 1.15915248E-04 1.55872029E-05-3.18663079E-06 2.45430939E-05 1.20275168E-04
 1  7-2.41570779E-01-8.33211340E-03 4.35885000E-03 2.29760208E-04 1.06740760E-04
 1  8-1.16073525E-04-9.81236225E-04-3.87485149E-04 3.08271564E-04 4.73461439E-05
 1  9-5.79853779E-06-4.15476061E-05 1.14342421E-04-7.65332493E-05-3.91237564E-06
 1 10 3.64618206E-04-5.61719304E-04-3.31246950E-05 2.56589966E-05-8.85124718E-05
 1 11 6.33248389E-04 9.78864029E-04 1.48611560E-04 5.57912166E-05-3.87482111E-05
 1 12 9.63255910E-01 3.30172906E-02-1.64688599E-02 8.97499728E-04 5.25844101E-04
 1 13 4.89919942E-04-2.94506229E-03-1.65871506E-03-1.52162524E-03-1.75026250E-04
 1 14 9.66846537E-05 7.83415962E-05-3.18398756E-04-2.55829487E-04-1.26392708E-04
 1 15-9.36617078E-04 1.00374138E-04 1.81304853E-04 2.37378678E-04 2.14930786E-04
 1 16-1.04490436E-03-5.79169445E-04 2.75642186E-04 2.83564789E-04 1.51690210E-04
 2  1 1.90088525E-05 8.56854433E-05-1.41982681E-03-5.01569421E-04 9.15031847E-05
 2  2-1.53799588E-04-2.53156688E-03-8.42511819E-04 7.33221356E-04-7.53767944E-05
 2  3 8.10566320E-05-5.67983760E-06 1.09261535E-04 5.11757050E-05-5.71337288E-05
 2  4-1.17488167E-04-5.17913914E-04 8.40358579E-03 1.03856878E-03 3.28634924E-04
 2  5-5.01442132E-04 2.55767036E-03 2.89101220E-03-1.90280474E-03 8.68441660E-05
 2  6-3.79670466E-05-4.88771194E-05 2.33085549E-04-1.62001459E-04-1.11007553E-04
 2  7 9.63254392E-01 3.29905535E-02-1.63496807E-02-8.95591636E-04-5.18607905E-04
 2  8 5.14156281E-04 2.81678928E-03 1.60999763E-03-1.62679690E-03-1.73503745E-04
 2  9 1.15611927E-04 5.78918177E-05-2.89167649E-04 2.61930859E-04 1.39907527E-04
 2 10-8.69190738E-04-1.91342031E-04-2.22886393E-04-2.46134149E-04 2.05683529E-04
 2 11-8.45939341E-04-1.32185671E-04-2.33245163E-04-2.85141654E-04 1.62102809E-04
 2 12 2.41564740E-01 8.22162301E-03-3.87187381E-03 2.19839954E-04 1.55726390E-04
 2 13 1.34934585E-04-4.63527287E-04-4.36155596E-04-4.80782323E-04-4.01133027E-05
 2 14 4.55221717E-05-5.40886901E-06-3.77161865E-05-5.47758568E-05-6.48795244E-05
 2 15-8.81585086E-05-5.84102257E-04 1.34553579E-04 9.43798846E-05 1.57924383E-05
 2 16 1.59357930E-04 8.00800840E-04-2.10956073E-05 8.70677106E-05 3.94490382E-05
 3  1 8.32356806E-01 3.04016864E-02-1.47612779E-02-1.14562753E-03 2.65188975E-04
 3  2-2.61182432E-04-1.37447671E-03-6.77710102E-04-2.04442507E-04-3.35290988E-04
 3  3-1.05444768E-04 4.40735756E-04 7.57310093E-04-4.25928839E-05 4.41103217E-05
 3  4 5.42267049E-01 1.93315638E-02-6.84700565E-03 1.07506693E-03-4.74357088E-04
 3  5-1.37896359E-04-9.33639422E-05 1.51903218E-03-7.21759164E-05-4.38817732E-04
 3  6-9.48062725E-05 5.33624004E-04 8.82021622E-04 3.03229460E-06 4.81775264E-06
 3  7 3.93621140E-05 1.77357123E-04-5.82947124E-04 2.15939469E-04 6.91528495E-05
 3  8-9.57735500E-05 6.00378961E-04 6.15473979E-04-5.20302648E-04-2.15478550E-04
 3  9 1.40970205E-04 7.45083457E-05-4.93467690E-04 4.14044383E-04 2.49511850E-04
 3 10-9.82762321E-04 1.99502247E-03 8.16816519E-05-1.59964725E-04 7.08761414E-04
 3 11-8.05546394E-04 2.70986592E-03-3.61041372E-04-4.97938502E-04-3.52247522E-04
 3 12 5.65203780E-05 3.33498029E-04-7.44087275E-04-2.72404768E-04-9.86623382E-05
 3 13-1.18241959E-04-1.02645405E-03-9.39113429E-04-7.70598338E-04-3.89656431E-04
 3 14 1.92519105E-04 1.97137326E-04-6.96216221E-04-6.19089057E-04-3.81053179E-04
 3 15-1.24802445E-03 2.88246078E-03-1.58219273E-04 2.85225287E-04 1.05806300E-03
 3 16-1.05780445E-03 3.47817667E-03 4.41673218E-04 7.97196658E-04-5.58174170E-04
 4  1-5.42106047E-01-2.09717501E-02 1.64416559E-02-6.48319394E-05 5.61482576E-04
 4  2 2.08689426E-04 3.33282848E-03-2.22408435E-03 4.19332727E-04-3.28884806E-04
 4  3 5.54468245E-06 3.23340124E-04 4.67872262E-04 1.16432560E-05-4.74066853E-05
 4  4 8.32251746E-01 3.14695464E-02-2.10023175E-02 4.05318458E-04 3.95728466E-04
 4  5-3.10628209E-04 3.60314928E-03-1.77596039E-03-4.03844455E-04 1.66362191E-04
 4  6-5.18253928E-05-1.14536798E-04-1.21442860E-04 3.20206277E-05-6.34987747E-05
 4  7 5.08038263E-05 4.24353808E-04-5.27622102E-04 1.86490261E-04 7.71525592E-05
 4  8-8.46343017E-05 1.18479707E-03 8.60929202E-04-8.11007505E-04-4.78440718E-04
 4  9 2.16747102E-04 2.61693617E-04-5.49371666E-04 6.54848270E-04 3.74782805E-04
 4 10-8.65241716E-04 2.61674508E-03 2.08123999E-04-2.49912414E-04 1.03691660E-03
 4 11-7.95523145E-04 2.46840696E-03-2.74575740E-04-8.94567209E-04-5.12727252E-04
 4 12-3.05675056E-05-3.16775554E-04 2.47068978E-04 8.30079772E-05 4.40460344E-05
 4 13 3.71436376E-05 8.41383072E-04 5.56570340E-04 5.11882726E-04 3.50356598E-04
 4 14-1.26392562E-04-2.23964035E-04 3.18284623E-04 4.20677979E-04 2.38741179E-04
 4 15 3.94431143E-04-1.58712021E-03 1.57296502E-04-1.87702705E-04-6.55828117E-04
 4 16 4.02625839E-04-1.16258623E-03-1.05002014E-04-6.05236808E-04 3.48402633E-04
 5  1-5.14370087E-02 9.57154879E-02 2.28148965E-02-4.26723217E-02-3.78494602E-02
 5  2-3.22173680E-02-1.48291767E-03-7.96707649E-03-1.70678696E-03 8.18993910E-03
 5  3-2.99361474E-03-5.19632437E-03 6.63776119E-03 8.44762319E-03 5.55106508E-03
 5  4-5.17726988E-02 9.63580553E-02 2.27836035E-02 4.32481542E-02 3.69027026E-02
 5  5-3.37817388E-02 1.59084717E-03 7.86062218E-03-2.04560820E-03 8.24147892E-03
 5  6-3.36651417E-03-4.87496474E-03 6.41800555E-03-8.76020083E-03-5.66253955E-03
 5  7-1.67596129E-01 3.40979656E-01 3.48525081E-01-5.66143487E-02-2.92594285E-02
 5  8 3.13018025E-02-2.54619849E-02-1.37227693E-02 1.45587566E-02 3.91483796E-03
 5  9-1.96857193E-03-1.94626603E-03 5.02349463E-03-5.42690436E-03-2.95581418E-03
 5 10 1.66857475E-02 2.82756057E-04-4.24506426E-04 1.04690892E-03-3.82930464E-03
 5 11 1.91011919E-02 5.42281493E-03 8.64126622E-04 4.08653693E-03 1.76822878E-03
 5 12-1.66225118E-01 3.38191411E-01 3.45666993E-01 5.61278000E-02 3.01258485E-02
 5 13 3.00027740E-02 2.52359018E-02 1.41395215E-02 1.39517745E-02 3.87602771E-03
 5 14-1.76700799E-03-2.10901972E-03 5.17655529E-03 5.20296256E-03 2.93040796E-03
 5 15 1.65420892E-02 2.52005231E-04 4.16603386E-04-1.17212126E-03-3.76278496E-03
 5 16 1.90058354E-02 5.45117575E-03-8.49878340E-04-4.00329791E-03 1.90156458E-03
 6  1-3.91860825E-02 7.60486151E-02-7.20411057E-03-6.56357598E-02-3.07631425E-02
 6  2-2.92723942E-02-1.56045355E-02 6.08544448E-03-4.08043495E-03 4.64028966E-03
 6  3-2.06153178E-03-2.57875788E-03 1.05493633E-02 9.38185475E-03 4.98471917E-03
 6  4 3.87798633E-02-7.52866149E-02 7.39494114E-03-6.53449383E-02-2.93855085E-02
 6  5 3.00666275E-02-1.55907571E-02 6.28839942E-03 3.85203156E-03-4.58900968E-03
 6  6 2.35205720E-03 2.23695248E-03-1.01583121E-02 9.68433271E-03 4.94329334E-03
 6  7 1.69475468E-01-3.44526816E-01-3.55957063E-01 5.43610548E-02 2.94468177E-02
 6  8-3.12049005E-02 2.65610165E-02 1.23556739E-02-1.46144776E-02-3.74087900E-03
 6  9 1.95790148E-03 1.78297752E-03-4.87986320E-03 5.32084923E-03 2.82386868E-03
 6 10-1.53401770E-02-1.76593169E-03 5.66688843E-04-1.30835787E-03 3.27060379E-03
 6 11-1.18005160E-02 3.16908403E-03-1.98272556E-03-2.23766925E-03-1.12673217E-03
 6 12-1.70832870E-01 3.47287919E-01 3.58800468E-01 5.47730267E-02 3.08022624E-02
 6 13 3.03874753E-02 2.67527076E-02 1.29955392E-02 1.42871260E-02 3.76407244E-03
 6 14-1.79333914E-03-1.97073330E-03 5.11217007E-03 5.18607099E-03 2.85175018E-03
 6 15 1.54574824E-02 1.76049039E-03 5.66580965E-04-1.43449831E-03-3.25163140E-03
 6 16 1.19522027E-02-3.12346364E-03-1.99010191E-03-2.22804773E-03 1.21929246E-03
 7  1-1.49649500E-01 3.08086103E-01 1.75332120E-01 9.74384421E-02-4.20613212E-02
 7  2 2.05623437E-02 3.67832913E-02-3.40841537E-04 1.13684985E-02 2.05658678E-03
 7  3 2.31140129E-03-4.36798806E-03-8.79641824E-03-2.34570814E-04-2.64176071E-04
 7  4-1.49596153E-01 3.07957568E-01 1.75387386E-01-9.74183315E-02 4.28355414E-02
 7  5 1.90613420E-02-3.68300239E-02 8.21563819E-04 1.13449440E-02 2.05400449E-03
 7  6 2.32341667E-03-4.37742116E-03-8.78709901E-03 5.45799955E-04-9.81970566E-06
 7  7 6.03562708E-02-1.31135842E-01-1.55289506E-01-8.96819039E-02-2.71496679E-02
 7  8 4.26861126E-02-5.00666212E-02-1.86316313E-02 2.40864405E-02 3.87366555E-03
 7  9-2.25350262E-03-1.62016293E-03 2.47586471E-03-3.85709429E-03-1.41963369E-03
 7 10 1.10200245E-01-2.35837776E-03-4.69170841E-03 2.95755176E-03-9.76266371E-03
 7 11 1.07937925E-01-1.11960127E-02 1.67858155E-03 9.09821930E-03 6.04816933E-03
 7 12 6.03639309E-02-1.31156398E-01-1.55298215E-01 8.96760684E-02 2.87029860E-02
 7 13 4.17141194E-02 5.00743961E-02 1.95052027E-02 2.34290856E-02 3.87213799E-03
 7 14-2.16405539E-03-1.70808259E-03 2.61604602E-03 3.76901656E-03 1.44455844E-03
 7 15 1.10284369E-01-2.35713000E-03 4.68965739E-03-3.30822074E-03-9.66091638E-03
 7 16 1.08055581E-01-1.12057846E-02-1.68165093E-03-8.88584893E-03 6.37457359E-03
 8  1 1.25867975E-01-2.74684896E-01-1.34726444E-01 7.45995708E-02-1.10590989E-01
 8  2-5.49595505E-03 7.83342579E-03-4.62348713E-02-2.04712111E-02-7.57319479E-04
 8  3 4.18081694E-03-3.42349747E-03-8.56660026E-03-8.95770731E-04 2.86192021E-04
 8  4-1.25914216E-01 2.74785688E-01 1.34725647E-01 7.46838605E-02-1.10329050E-01
 8  5 9.44173297E-03 7.76885578E-03-4.54892360E-02 2.20864021E-02 7.68735020E-04
 8  6-4.15974924E-03 3.39101422E-03 8.52478906E-03-1.19962477E-03 6.00637231E-04
 8  7 4.67009785E-02-1.02641782E-01-1.23578551E-01-1.13233167E-01-1.23398197E-01
 8  8 8.69252568E-02-6.86074305E-02-7.44262920E-02 5.27200383E-02 6.07041214E-04
 8  9 2.26891104E-04-8.33932319E-04 7.41830208E-03-4.56262825E-03-4.25562379E-03
 8 10 1.57005485E-01 5.72522630E-03-2.76481522E-03 1.08090651E-03-1.23359259E-02
 8 11 1.64519604E-01 1.86177609E-02 4.21938245E-03 9.86510910E-03 7.49609261E-03
 8 12-4.66383638E-02 1.02504382E-01 1.23413873E-01-1.12998947E-01-1.26356763E-01
 8 13-8.23986167E-02-6.84790645E-02-7.62178610E-02-4.99919199E-02-5.98771867E-04
 8 14-4.94078871E-04 1.09285074E-03-7.57009893E-03-4.28959029E-03-4.20112405E-03
 8 15-1.56944102E-01-5.69725178E-03-2.75774005E-03 1.52031173E-03 1.22878959E-02
 8 16-1.64498736E-01-1.86379875E-02 4.22095423E-03 9.58805690E-03-7.84104094E-03
 9  1-2.97970948E-03-2.98988856E-04 1.89354768E-02-5.36684558E-02 4.19569536E-02
 9  2 2.92504809E-01-3.65038023E-02-4.22056539E-03 1.16092187E-01 1.21132302E-03
 9  3-2.98763608E-03 1.77631306E-03-2.42209654E-03-1.42258422E-03-7.23433286E-03
 9  4-2.92472909E-03-3.20014703E-04 1.83536864E-02 5.54444322E-02-2.90475390E-02
 9  5 2.93658362E-01 3.68220385E-02 9.26578447E-03 1.16241817E-01 1.19691932E-03
 9  6-2.47013375E-03 1.27321443E-03-2.28766565E-03 1.44221128E-03 7.31828015E-03
 9  7-1.55548329E-02 3.24016046E-02 5.01772969E-02 2.00501053E-01 4.99638322E-02
 9  8 1.07235475E-01 1.22598643E-01 2.75026770E-02 6.37140075E-02-9.27308111E-03
 9  9 8.72112108E-04 8.40096900E-03-3.96035869E-03-2.36842651E-03-2.64266749E-03
 9 10 2.04462399E-01 3.05280889E-02-3.82593240E-03 4.05265173E-03-7.49267488E-03
 9 11-9.01699891E-02 5.47932257E-03 7.37891415E-04-6.96072253E-03 3.10754562E-03
 9 12-1.59605145E-02 3.32541449E-02 5.14370800E-02-2.03510708E-01-4.65317251E-02
 9 13 1.06699833E-01-1.24465861E-01-2.54561271E-02 6.33006680E-02-9.34015249E-03
 9 14 1.11033156E-03 8.22982092E-03-3.89056869E-03 2.40131336E-03 2.91877479E-03
 9 15 2.04733783E-01 3.07450986E-02 3.86265310E-03-4.27101446E-03-7.35796358E-03
 9 16-8.85538316E-02 5.50579722E-03-7.13055565E-04 7.02042802E-03 2.92082246E-03
10  1 3.06717703E-03 8.60537396E-04-4.06894650E-02-1.60652747E-01-2.24604371E-01
10  2 1.59399291E-03-2.74144153E-02-8.38799119E-02 3.33202992E-02-1.79105073E-03
10  3 6.73652461E-03-4.94547388E-03 7.64634650E-03 6.94565255E-03 8.33304392E-03
10  4-3.12532583E-03-7.95703520E-04 4.09711599E-02-1.60135023E-01-2.24746377E-01
10  5 9.68489701E-03-2.69985990E-02-8.48993006E-02-2.89996354E-02 1.79528465E-03
10  6-6.22751229E-03 4.43222765E-03-7.43126370E-03 7.22483307E-03 8.86930223E-03
10  7-3.55096370E-02 7.44389164E-02 1.11540483E-01 2.72675083E-01 1.70926199E-02
10  8-1.86553206E-01 1.68892537E-01 8.93318239E-03-1.11908654E-01-6.63499988E-03
10  9 6.37631317E-03 2.58686712E-04-5.33235040E-04 8.75327692E-03 1.87131153E-03
10 10 1.76704214E-02 1.61406659E-02-3.22470901E-03-4.29235916E-03-6.82633219E-04
10 11 1.53243391E-01 6.31760685E-03-2.11710761E-03 5.04239393E-03 5.51813910E-03
10 12 3.53443134E-02-7.40970202E-02-1.11002838E-01 2.70367328E-01 2.33819152E-02
10 13 1.87149394E-01 1.67493122E-01 1.27374332E-02 1.12305759E-01 6.52530488E-03
10 14-6.23972179E-03-2.85583090E-04 8.08224284E-04 8.75858285E-03 2.15577346E-03
10 15-1.54311418E-02-1.58069609E-02-3.18562503E-03-4.31754285E-03 7.53790823E-04
10 16-1.54301376E-01-6.27846727E-03-2.12455621E-03 4.92052321E-03-5.66683534E-03
11  1 4.57672019E-03-4.32782560E-03-2.23492002E-02-2.86015891E-01 8.06910832E-02
11  2-3.79182971E-02-7.93722839E-02 6.23517748E-02-3.44310496E-03 1.11552188E-02
11  3-1.03156839E-02-8.39534877E-04 1.14872933E-02 8.94529389E-03 3.04147655E-03
11  4 4.65401156E-03-4.46843780E-03-2.26818022E-02 2.85978008E-01-8.19856871E-02
11  5-3.49759385E-02 7.93963194E-02-6.24741009E-02-1.21757991E-03 1.11703942E-02
11  6-1.04992697E-02-6.71124458E-04 1.11468210E-02-9.33930636E-03-2.63994491E-03
11  7 2.60699964E-02-5.32778347E-02-7.87376198E-02-1.40346771E-01-2.81349355E-01
11  8 1.86570454E-01-8.76927353E-02-1.71806961E-01 1.15186405E-01-3.33398812E-03
11  9 2.84832040E-03 4.85667716E-04 9.07337596E-03-4.98005988E-03-7.09298548E-03
11 10 4.24899587E-02 9.03822744E-03 4.80871441E-03-1.84990511E-04-4.22603672E-03
11 11-5.14161730E-04-2.50100018E-02 6.80148375E-03-4.42199434E-04 1.21576708E-05
11 12 2.60769318E-02-5.32915598E-02-7.87623024E-02 1.40193273E-01 2.87978581E-01
11 13 1.76505678E-01 8.75961689E-02 1.75904866E-01 1.09041042E-01-3.34532552E-03
11 14 3.29267369E-03 5.26518302E-05 9.24321103E-03 4.64986913E-03 6.98458157E-03
11 15 4.24866063E-02 9.03584594E-03-4.81565674E-03 3.32086040E-05-4.23514275E-03
11 16-4.66796834E-04-2.49801537E-02-6.80627014E-03 4.41982302E-04-4.91815260E-06
12  1 9.86357947E-03-1.27639191E-02-4.45435493E-02-6.11254993E-03-2.76784247E-01
12  2 3.89512835E-02 2.48166800E-02-1.00507731E-01 2.98451102E-02 1.12958949E-02
12  3-2.29360887E-03-9.00228598E-03 9.82109182E-03 4.26518177E-03 7.78959535E-03
12  4 9.74466431E-03-1.25501095E-02-4.40273094E-02 6.35022444E-03 2.78140067E-01
12  5 3.14900732E-02-2.46245313E-02 1.01740758E-01 2.71771523E-02 1.12899236E-02
12  6-2.76941194E-03-8.52051165E-03 9.66531419E-03-4.42858102E-03-8.07372433E-03
12  7 8.76118521E-03-1.59612852E-02-2.39305622E-02-2.12242319E-01 1.25699621E-01
12  8 2.06142957E-01-1.29343701E-01 7.95472112E-02 1.32326600E-01 5.68236624E-03
12  9-8.75817000E-03 3.07580376E-03-3.20310007E-03-8.34222811E-03 4.29575312E-04
12 10-4.86500625E-02-1.89085538E-02 1.77764961E-03 6.01840702E-03 2.94478284E-03
12 11-2.01589561E-01-5.61223122E-02-5.54283185E-03-4.19315640E-03-5.87369315E-03
12 12 8.82695809E-03-1.60887741E-02-2.40944370E-02 2.14070096E-01-1.16359710E-01
12 13 2.08777417E-01 1.30512869E-01-7.35484210E-02 1.33954111E-01 5.74023968E-03
12 14-8.74296484E-03 3.00272517E-03-2.81604947E-03 8.40770378E-03 4.14856954E-05
12 15-5.06276602E-02-1.94829635E-02-1.79313840E-03-5.87600376E-03 3.21402244E-03
12 16-2.00677438E-01-5.58669719E-02 5.52604945E-03 3.92381926E-03-6.04441115E-03
13  1-9.79921295E-03 1.78083788E-02 3.85945897E-02-2.61690030E-02-4.44024557E-03
13  2 2.52033387E-01-2.58795798E-02-1.54848411E-02 9.77443132E-02-2.51335647E-04
13  3 1.59008958E-03-1.33875393E-03-2.52103335E-03-1.88718306E-02 2.58385020E-03
13  4 9.89033316E-03-1.79318369E-02-3.90133247E-02-2.59992326E-02-1.07636406E-02
13  5-2.51376096E-01-2.60942333E-02-1.79695986E-02-9.68561242E-02 3.57708207E-04
13  6-1.45766537E-03 1.09995716E-03 1.94391800E-03-1.90172854E-02 2.61877358E-03
13  7 6.43192632E-03-1.22220858E-02-1.57367837E-02-2.13319852E-01-1.61585804E-01
13  8-1.87697812E-01-1.35988793E-01-1.03467349E-01-1.23007938E-01 7.42414772E-03
13  9 2.18631675E-03-9.61046447E-03 7.49060438E-03 4.18427166E-03 2.34043066E-03
13 10-2.03650186E-01-6.04558628E-02 1.41386842E-03-3.37256471E-03 6.14802496E-03
13 11 9.28012858E-02 2.46315492E-02 2.36108846E-03 5.24797716E-03-2.58624147E-03
13 12-6.34841433E-03 1.20718498E-02 1.55072568E-02-2.11080818E-01-1.56027373E-01
13 13 1.95134488E-01-1.34617776E-01-9.97918490E-02 1.27760014E-01-7.35820534E-03
13 14-2.11766187E-03 9.47586721E-03-7.36566443E-03 4.51914387E-03 2.81721168E-03
13 15 2.03238252E-01 6.02752608E-02 1.39703750E-03-3.64599234E-03-6.00030699E-03
13 16-9.47963384E-02-2.51684169E-02 2.41672744E-03 5.37755968E-03 2.33773511E-03
14  1 3.31503203E-02-6.93745093E-02-1.46476712E-01-6.00291179E-02-2.91151426E-02
14  2-3.22611634E-02-5.18975372E-02 1.74632703E-02-9.61504322E-03 1.94784025E-02
14  3-1.12018417E-02-8.27656080E-03-5.39866455E-03 3.90357840E-03-6.81128446E-03
14  4-3.31879733E-02 6.94480400E-02 1.46591336E-01-6.00910196E-02-2.80872518E-02
14  5 3.33197412E-02-5.18421169E-02 1.77863300E-02 9.03724852E-03-1.94894985E-02
14  6 1.07837189E-02 8.70577965E-03 5.52904522E-03 3.70216154E-03-6.90522933E-03
14  7-3.43114388E-04-1.73638389E-03 2.71090920E-03-2.13075350E-01 3.79057025E-01
14  8-1.77407432E-01-1.47639943E-01 2.56185997E-01-1.21359246E-01 9.34970193E-03
14  9-6.63714766E-03-2.71255427E-03-4.73656491E-03 6.02406870E-04 6.21158653E-03
14 10 7.98728488E-02 2.73644732E-02-3.92614277E-03-9.54184692E-04-2.00954476E-03
14 11 5.77199096E-02-1.46054067E-02 2.73029119E-03 3.48004310E-04 3.73404303E-03
14 12 3.47130244E-04 1.72446462E-03-2.74010213E-03-2.13628193E-01 3.85189412E-01
14 13 1.63544391E-01-1.48002213E-01 2.60381577E-01 1.11977464E-01-9.35934445E-03
14 14 7.02728314E-03 2.33206132E-03 4.74280086E-03 4.19187534E-04 6.03570373E-03
14 15-7.98267005E-02-2.73742948E-02-3.91577154E-03-8.80630293E-04 2.03665411E-03
14 16-5.75793491E-02 1.46986576E-02 2.72687626E-03 2.10633709E-04-3.73789133E-03
15  1 9.17417580E-04-5.43325754E-03 4.04955476E-03 3.38797475E-03 1.24682452E-01
15  2-1.35812203E-01-1.22717816E-02 5.15186114E-02-3.60745930E-02 3.52023265E-04
15  3 1.26790839E-02-1.30311072E-02 8.87124987E-03-1.44524064E-02-5.97062139E-03
15  4 9.27419251E-04-5.43957854E-03 3.92752932E-03-3.17515035E-03-1.29211108E-01
15  5-1.30699671E-01 1.23597736E-02-5.27747647E-02-3.41032565E-02 3.25395557E-04
15  6 1.29885418E-02-1.33139373E-02 9.33438632E-03 1.41233292E-02 4.84984305E-03
15  7 2.84079652E-03-9.37873994E-03-6.79453630E-03 1.28736100E-01 1.99655270E-01
15  8 3.43957727E-01 8.12205097E-02 1.45318999E-01 2.42679766E-01-3.22400124E-03
15  9-1.29016346E-03 4.51416470E-03-4.13839411E-03-4.00917541E-03-9.33039666E-04
15 10-1.06457743E-01-5.02458201E-02 4.00737352E-03-4.80012539E-03 2.61520639E-04
15 11 1.92593125E-01 8.16748838E-02-3.38141674E-04 3.57705330E-03 3.11422750E-03
15 12 2.83510348E-03-9.35788268E-03-6.78268683E-03-1.28968823E-01-1.88030451E-01
15 13 3.52150425E-01-8.14029465E-02-1.37089931E-01 2.48589424E-01-3.22824090E-03
15 14-1.23949225E-03 4.46773315E-03-4.00359295E-03 4.16736539E-03 1.17167012E-03
15 15-1.07143081E-01-5.05982903E-02-4.00734410E-03 4.81901902E-03 9.62540438E-05
15 16 1.93233004E-01 8.19872704E-02 3.37451771E-04-3.47691656E-03 3.23982190E-03
16  1-1.11810204E-03 1.06322964E-03 3.21700612E-02 7.40335098E-02 5.73542918E-02
16  2-1.87834827E-01 4.31334607E-02-4.12934766E-03-4.79686527E-02 6.73040126E-03
16  3 6.22704323E-03-1.29574445E-02 1.24217211E-02-2.93066824E-04-1.27232413E-02
16  4 8.18555293E-04-2.45183267E-04-3.08251974E-02 7.14264069E-02 6.70159613E-02
16  5 1.85422644E-01 4.26883295E-02-1.15760362E-03 4.80085722E-02-6.51838753E-03
16  6-7.10420083E-03 1.36225884E-02-1.26377333E-02 7.91463375E-05-1.18355618E-02
16  7 3.19499996E-03-9.42440466E-03-1.12275333E-02-2.79808739E-02-1.96156999E-01
16  8-3.32921176E-01-2.78752743E-02-1.33560176E-01-2.31878651E-01 8.84013094E-04
16  9 2.35531655E-03-3.23932964E-03 1.58689530E-03 4.10889681E-03-7.56235966E-04
16 10 2.04488393E-01 9.75195930E-02-1.46939297E-03 3.32241176E-03-3.01651079E-03
16 11-1.92424820E-01-9.09546708E-02 6.91718811E-04-5.37301354E-03-1.24945133E-04
16 12-3.20842608E-03 9.51216638E-03 1.10051435E-02-3.12351473E-02-1.79692675E-01
16 13 3.39801015E-01-3.02274659E-02-1.22065713E-01 2.36464732E-01-9.29805615E-04
16 14-2.35230580E-03 3.28211142E-03-1.40722870E-03 4.14353452E-03-4.95271228E-04
16 15-2.05979219E-01-9.83710185E-02-1.42273224E-03 3.36839271E-03 2.95590387E-03
16 16 1.90758320E-01 8.96965727E-02 7.18489024E-04-5.36978485E-03 2.63015161E-04
17  1-2.27852426E-02 6.21472016E-02 1.01866633E-01 1.94892610E-01-1.90478405E-01
17  2-5.29966124E-02 3.05128384E-02-8.06563887E-02-1.86331124E-02 1.58706677E-02
17  3-6.00153742E-03-9.86913030E-03-1.33526362E-02 1.87255074E-03-6.10122243E-03
17  4-2.28031832E-02 6.21546353E-02 1.02313339E-01-1.95801636E-01 1.87608072E-01
17  5-6.23609558E-02-3.10312387E-02 7.99803082E-02-2.21717799E-02 1.59628698E-02
17  6-5.53357775E-03-1.04292920E-02-1.32523397E-02-1.41053217E-03 6.08753110E-03
17  7-1.29263718E-05 3.50997133E-03-1.93086183E-02 2.72716835E-01-2.80120943E-01
17  8 1.15243923E-01 1.94842261E-01-1.95356429E-01 7.55576762E-02-3.92492550E-03
17  9 2.87300323E-03 1.05192227E-03 1.21163090E-03 1.99309727E-04-2.13616690E-03
17 10-1.45424934E-01-7.74953230E-02-1.63296491E-03 3.13600260E-03 4.60090197E-03
17 11-6.76954998E-02-7.13499747E-02-2.30798580E-03 1.64148062E-03-3.17178752E-03
17 12 3.63246856E-05 3.35795612E-03-1.94546642E-02-2.72580698E-01 2.86176300E-01
17 13 1.00495678E-01-1.94613886E-01 1.99357933E-01 6.52823026E-02-3.91187643E-03
17 14 3.03128565E-03 8.80590789E-04 1.21061255E-03-2.99884324E-04 2.06165052E-03
17 15-1.42527703E-01-7.61017912E-02 1.66436236E-03-3.01997470E-03 4.66588428E-03
17 16-7.02351049E-02-7.26232679E-02 2.30637490E-03-1.68639694E-03-3.11026842E-03
 $END   
 $GRAD  
E=     -277.9333071914  GMAX=   0.0002196  GRMS=   0.0000879
C            6.   -1.9671322672E-04   -6.4231620692E-05   -5.4688593421E-06
C            6.    5.8765853771E-05    9.0962353393E-05   -1.1925063986E-04
F            9.   -5.2480993532E-05    1.7587733785E-04    1.1293695695E-04
H            1.    1.1860436591E-05    3.6142915837E-06   -5.6204408072E-06
H            1.    2.1579535952E-05   -8.7118037506E-06   -3.5426065316E-05
F            9.    1.5274019157E-05   -2.1956946696E-04   -5.7815048964E-05
H            1.    7.7693020473E-05    5.2494026994E-06    5.1723507776E-05
H            1.    6.4021364359E-05    1.6809504709E-05    5.8920580930E-05
 $END
-------------------- DATA FROM NSERCH=   8 --------------------
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6008937717   0.4765796204   0.3314571160
 C           6.0   0.6009980469  -0.4646019849   0.3484506977
 F           9.0   1.6991103872   0.1419909203  -0.2767128445
 H           1.0   0.9162029514  -0.7395558531   1.3726826920
 H           1.0   0.3326836217  -1.3807985212  -0.2122058457
 F           9.0  -1.6991438377  -0.1516494370  -0.2717364080
 H           1.0  -0.9165747284   0.7881007664   1.3449909374
 H           1.0  -0.3329228585   1.3717096020  -0.2622563990
--- CLOSED SHELL ORBITALS --- GENERATED AT Wed Oct  9 10:29:08 2019
FCH2CH2F zmatrix optimization near saddle point, no hessian                     
E(R-PBE)=     -277.9333073294, E(NUC)=  124.6609208507,   11 ITERS
 $VEC   
 1  1 5.61082097E-05 2.48733979E-04-4.07977035E-03-2.44341704E-04 2.04681720E-04
 1  2-2.39009579E-05-2.03493507E-03-4.60591148E-05 1.34879391E-03-1.08932872E-04
 1  3 9.88417248E-05 1.00911467E-05 4.93485070E-05 1.03138762E-05-9.62547382E-05
 1  4-1.35680444E-04-5.98440360E-04 9.71265344E-03 9.98033805E-04 3.92463917E-04
 1  5-5.09355389E-04 2.06939955E-03 2.93932387E-03-2.31478421E-03 1.18480017E-04
 1  6-6.70742472E-05-5.14057700E-05 2.26174187E-04-1.63018514E-04-1.39144138E-04
 1  7 9.92867551E-01 3.40193191E-02-1.69179214E-02-9.24107185E-04-5.28842933E-04
 1  8 5.26566675E-04 2.97462409E-03 1.65623716E-03-1.65041830E-03-1.79658964E-04
 1  9 1.12901651E-04 6.67573135E-05-3.09223022E-04 2.72825637E-04 1.36082692E-04
 1 10-9.33922760E-04-3.56986229E-05-2.06395679E-04-2.44462792E-04 2.21672916E-04
 1 11-9.82326855E-04-3.84298518E-04-2.64204452E-04-2.89866519E-04 1.66927264E-04
 1 12-2.07310095E-02-7.67096062E-04 6.03814264E-04-2.43412172E-05 1.17123839E-05
 1 13 1.02099067E-06 3.28663867E-04 1.61566358E-05-6.25840967E-05 7.50481702E-06
 1 14 1.83511569E-05-2.58559739E-05 4.74932635E-05 1.45333251E-05-2.92552555E-05
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12  5 2.89129809E-02-2.48201430E-02 1.01448828E-01 2.61995208E-02 1.13069491E-02
12  6-2.79845963E-03-8.50848946E-03 9.67216869E-03-4.61929801E-03-8.04014377E-03
12  7 8.83363420E-03-1.61002809E-02-2.41122438E-02-2.14228428E-01 1.23516193E-01
12  8 2.04367087E-01-1.30609333E-01 7.81504917E-02 1.31165453E-01 5.74503257E-03
12  9-8.72545796E-03 2.98042538E-03-3.10789532E-03-8.29821559E-03 4.40732717E-04
12 10-5.06737720E-02-1.95067889E-02 1.79520411E-03 5.98441796E-03 3.00356101E-03
12 11-2.00620580E-01-5.58884844E-02-5.51638122E-03-4.13840481E-03-5.90063156E-03
12 12 8.79399800E-03-1.60300685E-02-2.40349350E-02 2.12386077E-01-1.17779853E-01
12 13 2.10718774E-01 1.29443390E-01-7.44608148E-02 1.35225064E-01 5.67759528E-03
12 14-8.76597884E-03 3.08838356E-03-2.88961960E-03 8.45786493E-03 7.04555577E-05
12 15-4.86170341E-02-1.88795133E-02-1.78371301E-03-5.91259721E-03 3.15557858E-03
12 16-2.01741594E-01-5.61908164E-02 5.53481955E-03 3.98019953E-03-6.02548291E-03
13  1 9.89018408E-03-1.79190553E-02-3.90385150E-02 2.59818352E-02 1.70454521E-03
13  2-2.51661098E-01 2.60779178E-02 1.44727957E-02-9.74197659E-02 3.57542466E-04
13  3-1.61048025E-03 1.25293779E-03 2.63267792E-03 1.89304973E-02-2.51203445E-03
13  4-9.77940359E-03 1.77718449E-02 3.85424948E-02 2.61407264E-02 1.34204591E-02
13  5 2.51701227E-01 2.58604304E-02 1.89530155E-02 9.71353482E-02-2.48021998E-04
13  6 1.42195639E-03-1.17393439E-03-1.84689224E-03 1.89627062E-02-2.69612936E-03
13  7-6.34926053E-03 1.20743751E-02 1.55123927E-02 2.11142767E-01 1.62843897E-01
13  8 1.89637141E-01 1.34661381E-01 1.04266610E-01 1.24253664E-01-7.36257810E-03
13  9-2.27455587E-03 9.63713397E-03-7.52134420E-03-4.26051791E-03-2.33691850E-03
13 10 2.03221248E-01 6.02857453E-02-1.39702147E-03 3.42950765E-03-6.12213391E-03
13 11-9.47681894E-02-2.51805408E-02-2.41501137E-03-5.29077685E-03 2.53113822E-03
13 12 6.44439943E-03-1.22495580E-02-1.57699219E-02 2.13365700E-01 1.54722016E-01
13 13-1.92998488E-01 1.36025546E-01 9.89666036E-02-1.26394876E-01 7.42231823E-03
13 14 2.02353292E-03-9.44585114E-03 7.33537697E-03-4.43819814E-03-2.81821785E-03
13 15-2.03733445E-01-6.04970553E-02-1.42132709E-03 3.59125038E-03 6.02196287E-03
13 16 9.28881193E-02 2.46449872E-02-2.36219892E-03-5.33925438E-03-2.39515861E-03
14  1 3.31892542E-02-6.94529456E-02-1.46625004E-01-6.01824143E-02-2.91157307E-02
14  2-3.22751743E-02-5.18823557E-02 1.75243978E-02-9.66405250E-03 1.94787047E-02
14  3-1.12028167E-02-8.27588807E-03-5.38532419E-03 3.90205938E-03-6.79949882E-03
14  4-3.31451607E-02 6.93603079E-02 1.46469799E-01-5.99180454E-02-2.81158264E-02
14  5 3.32863788E-02-5.18408216E-02 1.77513910E-02 9.04041372E-03-1.94843510E-02
14  6 1.07835695E-02 8.70078143E-03 5.54063803E-03 3.70372836E-03-6.90916417E-03
14  7-3.44247889E-04-1.73417376E-03 2.73741378E-03-2.13507735E-01 3.79200326E-01
14  8-1.77185067E-01-1.47934284E-01 2.56291927E-01-1.21206475E-01 9.35510206E-03
14  9-6.64587176E-03-2.70923030E-03-4.72977162E-03 5.92526819E-04 6.21101789E-03
14 10 7.98499218E-02 2.73566617E-02-3.91919741E-03-9.56217165E-04-2.00828294E-03
14 11 5.77076192E-02-1.46099584E-02 2.72751194E-03 3.45184976E-04 3.73154460E-03
14 12 3.46430046E-04 1.72352329E-03-2.70701467E-03-2.13086707E-01 3.85170221E-01
14 13 1.63668687E-01-1.47639193E-01 2.60372041E-01 1.12081615E-01-9.34952138E-03
14 14 7.01836774E-03 2.33115364E-03 4.75279574E-03 4.29827989E-04 6.03399084E-03
14 15-7.97776379E-02-2.73196919E-02-3.92881177E-03-8.79296128E-04 2.03576115E-03
14 16-5.76219494E-02 1.46504777E-02 2.72361583E-03 2.14337486E-04-3.73932237E-03
15  1 9.31222704E-04-5.47499212E-03 3.95986466E-03 3.09641663E-03 1.24518289E-01
15  2-1.35164790E-01-1.23465310E-02 5.15582532E-02-3.59775815E-02 3.16819821E-04
15  3 1.26565574E-02-1.29733772E-02 8.83384090E-03-1.44523924E-02-5.92282919E-03
15  4 9.47092912E-04-5.48908084E-03 3.88568229E-03-3.25912071E-03-1.29469520E-01
15  5-1.31263753E-01 1.22670543E-02-5.27827532E-02-3.41989787E-02 3.41614557E-04
15  6 1.30126450E-02-1.33542595E-02 9.38520884E-03 1.41168274E-02 4.88779030E-03
15  7 2.82957197E-03-9.34891520E-03-6.73278620E-03 1.28611359E-01 2.00461349E-01
15  8 3.45100596E-01 8.11566613E-02 1.45862176E-01 2.43466652E-01-3.22162440E-03
15  9-1.30439315E-03 4.52601755E-03-4.14601670E-03-4.02346054E-03-9.32525298E-04
15 10-1.07080148E-01-5.05544374E-02 4.01229818E-03-4.80990704E-03 2.69823930E-04
15 11 1.93188116E-01 8.20154956E-02-3.38851266E-04 3.59178144E-03 3.10928051E-03
15 12 2.84113077E-03-9.37823492E-03-6.79849962E-03-1.28677358E-01-1.87636783E-01
15 13 3.51013818E-01-8.11876765E-02-1.36830210E-01 2.47822306E-01-3.22283243E-03
15 14-1.23257736E-03 4.45540979E-03-3.99840898E-03 4.15768923E-03 1.16886605E-03
15 15-1.06318558E-01-5.01450222E-02-4.00841671E-03 4.80272696E-03 8.54153068E-05
15 16 1.92582986E-01 8.16056625E-02 3.41470807E-04-3.45881820E-03 3.24918667E-03
16  1-9.57176981E-04 6.20590549E-04 3.14373217E-02 7.26235280E-02 5.90725322E-02
16  2-1.87883640E-01 4.28514976E-02-3.42455627E-03-4.79597659E-02 6.61418587E-03
16  3 6.30055662E-03-1.29147425E-02 1.25414681E-02-3.55498278E-04-1.26997588E-02
16  4 9.80530151E-04-6.97827058E-04-3.15224754E-02 7.27910015E-02 6.52365009E-02
16  5 1.85379692E-01 4.29365674E-02-1.92051041E-03 4.80066005E-02-6.62999958E-03
16  6-7.02996072E-03 1.36599603E-02-1.25082893E-02 1.36485324E-04-1.18644397E-02
16  7 3.20697686E-03-9.48700350E-03-1.11189006E-02-2.95148275E-02-1.93420976E-01
16  8-3.32657042E-01-2.90039935E-02-1.31628361E-01-2.31642111E-01 9.04586328E-04
16  9 2.33052927E-03-3.23511560E-03 1.56298890E-03 4.09543537E-03-7.39264917E-04
16 10 2.05150910E-01 9.78984520E-02-1.44356361E-03 3.28265214E-03-3.04653827E-03
16 11-1.91252470E-01-9.01812613E-02 7.06310326E-04-5.36886540E-03-8.80301794E-05
16 12-3.19344316E-03 9.44171394E-03 1.11002063E-02-2.97558751E-02-1.82324606E-01
16 13 3.40357346E-01-2.91343517E-02-1.23922730E-01 2.36912188E-01-9.11268069E-04
16 14-2.37688207E-03 3.28815014E-03-1.43149488E-03 4.16196079E-03-5.07721531E-04
16 15-2.05262902E-01-9.79345977E-02-1.46220380E-03 3.40554327E-03 2.92201931E-03
16 16 1.91860153E-01 9.04706920E-02 7.12121286E-04-5.37084074E-03 3.04716850E-04
17  1-2.27785222E-02 6.21350400E-02 1.01926985E-01 1.95290367E-01-1.89957541E-01
17  2-5.44671020E-02 3.06462199E-02-8.05968908E-02-1.89999969E-02 1.59213107E-02
17  3-5.95019304E-03-9.97111763E-03-1.32629697E-02 1.87774001E-03-6.19949660E-03
17  4-2.28018484E-02 6.21539577E-02 1.02219732E-01-1.95286851E-01 1.87903455E-01
17  5-6.10390961E-02-3.07548099E-02 7.99269532E-02-2.18336989E-02 1.59043457E-02
17  6-5.57605845E-03-1.03282872E-02-1.33283318E-02-1.39079612E-03 6.00016199E-03
17  7 1.72248167E-05 3.42154743E-03-1.94162335E-02 2.72702401E-01-2.81136545E-01
17  8 1.12925634E-01 1.94758037E-01-1.96026500E-01 7.39430351E-02-3.91906151E-03
17  9 2.88774996E-03 1.03131155E-03 1.21336737E-03 2.28421823E-04-2.14015250E-03
17 10-1.43861999E-01-7.67328809E-02-1.64620094E-03 3.15782940E-03 4.57599581E-03
17 11-6.89207709E-02-7.19750040E-02-2.30588717E-03 1.60422182E-03-3.16766506E-03
17 12 8.61647532E-06 3.44106214E-03-1.93666908E-02-2.72758601E-01 2.85233536E-01
17 13 1.03270189E-01-1.94798251E-01 1.98720265E-01 6.72142169E-02-3.92574539E-03
17 14 3.02065503E-03 9.05090352E-04 1.21028988E-03-2.66189729E-04 2.06255603E-03
17 15-1.44178124E-01-7.68773621E-02 1.63595719E-03-2.98655736E-03 4.69232389E-03
17 16-6.87389450E-02-7.18350208E-02 2.30336781E-03-1.72311067E-03-3.11105493E-03
 $END   
 $GRAD  
E=     -277.9333073294  GMAX=   0.0002816  GRMS=   0.0000697
C            6.   -1.3177903108E-05   -1.0644079756E-04   -1.4103811596E-05
C            6.    5.7533807189E-05   -3.8722285969E-05   -6.8694865659E-05
F            9.    2.3644693996E-06    2.8155449780E-04    5.4436699275E-05
H            1.   -1.1494444760E-05   -1.8314508681E-05   -3.1867942321E-06
H            1.   -3.6735878173E-06   -1.5076538304E-06    4.7943228503E-06
F            9.    2.8733889463E-05   -9.0338527413E-05    1.1844894225E-05
H            1.   -3.0631045561E-05   -3.5186146235E-05    3.9566299516E-07
H            1.   -2.9655205334E-05    8.9554216260E-06    1.4513889460E-05
 $END
----- RESULTS FROM SUCCESSFUL RHF      GEOMETRY SEARCH -----
----- COORDS, ORBS, GRADIENT, AND APPROX. HESSIAN -----
 COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
   ATOM   CHARGE       X              Y              Z
 ------------------------------------------------------------
 C           6.0  -0.6008937717   0.4765796204   0.3314571160
 C           6.0   0.6009980469  -0.4646019849   0.3484506977
 F           9.0   1.6991103872   0.1419909203  -0.2767128445
 H           1.0   0.9162029514  -0.7395558531   1.3726826920
 H           1.0   0.3326836217  -1.3807985212  -0.2122058457
 F           9.0  -1.6991438377  -0.1516494370  -0.2717364080
 H           1.0  -0.9165747284   0.7881007664   1.3449909374
 H           1.0  -0.3329228585   1.3717096020  -0.2622563990
--- OPTIMIZED RHF      MO-S --- GENERATED AT Wed Oct  9 10:29:10 2019
E=     -277.9333073294, E(NUC)=  124.6609208507
 $VEC   
 1  1 5.61082097E-05 2.48733979E-04-4.07977035E-03-2.44341704E-04 2.04681720E-04
 1  2-2.39009579E-05-2.03493507E-03-4.60591148E-05 1.34879391E-03-1.08932872E-04
 1  3 9.88417248E-05 1.00911467E-05 4.93485070E-05 1.03138762E-05-9.62547382E-05
 1  4-1.35680444E-04-5.98440360E-04 9.71265344E-03 9.98033805E-04 3.92463917E-04
 1  5-5.09355389E-04 2.06939955E-03 2.93932387E-03-2.31478421E-03 1.18480017E-04
 1  6-6.70742472E-05-5.14057700E-05 2.26174187E-04-1.63018514E-04-1.39144138E-04
 1  7 9.92867551E-01 3.40193191E-02-1.69179214E-02-9.24107185E-04-5.28842933E-04
 1  8 5.26566675E-04 2.97462409E-03 1.65623716E-03-1.65041830E-03-1.79658964E-04
 1  9 1.12901651E-04 6.67573135E-05-3.09223022E-04 2.72825637E-04 1.36082692E-04
 1 10-9.33922760E-04-3.56986229E-05-2.06395679E-04-2.44462792E-04 2.21672916E-04
 1 11-9.82326855E-04-3.84298518E-04-2.64204452E-04-2.89866519E-04 1.66927264E-04
 1 12-2.07310095E-02-7.67096062E-04 6.03814264E-04-2.43412172E-05 1.17123839E-05
 1 13 1.02099067E-06 3.28663867E-04 1.61566358E-05-6.25840967E-05 7.50481702E-06
 1 14 1.83511569E-05-2.58559739E-05 4.74932635E-05 1.45333251E-05-2.92552555E-05
 1 15 1.61632314E-04-5.89684276E-04 8.20391861E-05 2.83919087E-05-4.14414254E-05
 1 16 4.28658577E-04 9.24474488E-04-9.27536530E-05 9.23304001E-06-1.92644621E-06
 2  1 1.33532651E-04 5.89713877E-04-9.55591233E-03 1.00940024E-03 4.02213884E-04
 2  2 4.96625234E-04 2.15727998E-03 3.02235030E-03 2.15640070E-03-1.14199009E-04
 2  3 5.47096875E-05 5.94893217E-05-2.34011258E-04-1.55596185E-04-1.35290317E-04
 2  4-5.05363741E-05-2.24616950E-04 3.67860660E-03-2.86263519E-04 1.89292665E-04
 2  5 3.77819915E-05-2.12404801E-03-2.17960363E-04-1.25184527E-03 1.04175721E-04
 2  6-1.01898736E-04-2.27698574E-06-5.83668415E-05 1.92077644E-05-8.66960045E-05
 2  7-2.07247865E-02-6.53261307E-04 1.02283176E-04 1.42059628E-05 3.37269762E-05
 2  8-2.35145451E-05 2.04755159E-04-5.06266637E-05 1.31319558E-04 8.00153437E-08
 2  9-2.49078144E-05 2.48277990E-05-3.40824975E-05 4.83630180E-06-3.31125245E-05
 2 10-1.22882951E-04 5.91628049E-04 9.08299371E-05 4.01190625E-05 3.11936364E-05
 2 11-3.88404607E-04-9.09799764E-04-8.19324934E-05 2.13709074E-05-5.36646930E-06
 2 12-9.92867419E-01-3.40175476E-02 1.69092396E-02-9.24003364E-04-5.47831323E-04
 2 13-5.07896956E-04 2.96437501E-03 1.71445856E-03 1.59435058E-03 1.79637337E-04
 2 14-1.05369177E-04-7.42681594E-05 3.17029271E-04 2.61225318E-04 1.38964195E-04
 2 15 9.28393279E-04 6.01995747E-05-2.09818467E-04-2.53257162E-04-2.11212470E-04
 2 16 9.67014143E-04 3.49137796E-04-2.60137981E-04-2.96062123E-04-1.56104787E-04
 3  1 5.41640413E-01 1.93083704E-02-6.83655000E-03-1.07442461E-03 4.69992728E-04
 3  2-1.54577821E-04 9.56120378E-05-1.52057998E-03-1.61362231E-05-4.39279028E-04
 3  3-9.45231270E-05 5.33802155E-04 8.81019960E-04-3.50319031E-05 2.06995940E-05
 3  4 8.32764645E-01 3.04165094E-02-1.47691584E-02 1.14627608E-03-2.74057923E-04
 3  5-2.51365761E-04 1.37439016E-03 6.69090286E-04-2.29578185E-04-3.34530065E-04
 3  6-1.07182138E-04 4.41712204E-04 7.57678605E-04 1.58665590E-05-2.13176167E-05
 3  7 5.65447750E-05 3.33756497E-04-7.44600393E-04 2.72535596E-04 9.44070429E-05
 3  8-1.21689499E-04 1.02758005E-03 9.11352703E-04-8.03633707E-04-3.90299400E-04
 3  9 2.16246201E-04 1.74053199E-04-6.73916325E-04 6.43663649E-04 3.80200844E-04
 3 10-1.24856468E-03 2.88406446E-03 1.58806462E-04-2.47268613E-04 1.06788241E-03
 3 11-1.05853929E-03 3.47797663E-03-4.41364138E-04-8.17482477E-04-5.29542066E-04
 3 12 3.93059543E-05 1.76627704E-04-5.80299787E-04-2.15603491E-04-7.23240343E-05
 3 13-9.30801005E-05-5.98284688E-04-6.32920938E-04-4.97053596E-04-2.14888749E-04
 3 14 1.25153486E-04 8.97352628E-05-5.07506450E-04-3.95637992E-04-2.51442782E-04
 3 15-9.82428187E-04 1.99320883E-03-8.19249661E-05 1.85170421E-04 7.01763851E-04
 3 16-8.05199177E-04 2.70904724E-03 3.60608482E-04 4.84201668E-04-3.69680566E-04
 4  1 8.32659768E-01 3.14839460E-02-2.10087524E-02-4.05333280E-04-4.05848815E-04
 4  2-2.96442167E-04-3.60170402E-03 1.76016442E-03-4.65407142E-04 1.65544810E-04
 4  3-4.81073862E-05-1.17437424E-04-1.22757622E-04-2.84226959E-05 6.03641456E-05
 4  4-5.41479257E-01-2.09488057E-02 1.64304199E-02 6.53711033E-05-5.54074744E-04
 4  5 2.28205399E-04-3.33151903E-03 2.23846083E-03 3.38880773E-04-3.29301740E-04
 4  6 8.43792972E-06 3.20863811E-04 4.68229668E-04-2.84751368E-05 6.03589022E-05
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76  5 1.05057156E-01-1.95615260E-01-1.47137001E-01 5.71186460E-02-4.20271553E-01
76  6 3.31235731E-01 8.90358225E-02-1.77151891E-01 3.45303762E-01 3.46338616E-01
76  7 3.06848688E-03-4.31496757E-01 8.89886826E-01-1.02694953E-02 6.92715747E-03
76  8 7.49610331E-03-3.88756431E-01-2.61886008E-01 2.28781967E-01 2.49034996E-01
76  9-1.05011044E-01-1.44023952E-01 4.42922565E-01-3.66036006E-01-2.88041918E-01
76 10-4.37562552E-02 1.52110007E-02 1.51933019E-03-4.18243155E-02 6.43847569E-02
76 11-3.28565063E-01 1.32855318E-02-1.56089414E-01-3.02229578E-01-1.88401640E-01
76 12 3.13058774E-03-4.42542108E-01 9.12875869E-01 1.07552297E-02-6.51408686E-03
76 13 7.72691629E-03 3.99041535E-01 2.75600452E-01 2.25069970E-01 2.54848990E-01
76 14-9.00531823E-02-1.64795808E-01 4.65832345E-01 3.62593366E-01 2.90774784E-01
76 15-5.93549846E-02 1.13008898E-02-4.97490309E-03 4.85223409E-02 8.00192646E-02
76 16-3.24731445E-01 1.37360446E-02 1.54682544E-01 2.93350249E-01-1.96224611E-01
 $END   
 POPULATION ANALYSIS
C            5.88181   0.11819   6.00363  -0.00363
C            5.88199   0.11801   6.00331  -0.00331
F            9.33179  -0.33179   9.19178  -0.19178
H            0.89908   0.10092   0.90553   0.09447
H            0.88720   0.11280   0.89937   0.10063
F            9.33188  -0.33188   9.19185  -0.19185
H            0.89906   0.10094   0.90533   0.09467
H            0.88719   0.11281   0.89919   0.10081
 MOMENTS AT POINT    1 X,Y,Z= -0.000000  0.000000 -0.000000
 DIPOLE       0.000292  0.026726  1.518306
 $GRAD  
E=     -277.9333073294  GMAX=   0.0000722  GRMS=   0.0000272
C            6.    2.2621316424E-05   -2.0869101880E-05   -7.2241650023E-05
C            6.    2.7016353989E-05   -3.5765934654E-05   -1.2117395794E-05
F            9.    1.5372068420E-05    3.4648147782E-05    7.6115397147E-06
H            1.   -1.5125998608E-05   -8.7333069768E-06    4.3991355355E-06
H            1.   -1.1974695298E-05   -5.8004175366E-06    1.9712852436E-05
F            9.    8.9813756020E-06    4.3503697643E-05    6.0661593031E-05
H            1.   -2.5222440699E-05   -1.5043821359E-05   -7.7209652031E-06
H            1.   -2.1667979830E-05    8.0607369806E-06   -3.0510969732E-07
 $END
 CAUTION, APPROXIMATE HESSIAN!
 $HESS
ENERGY IS     -277.9333073294 E(NUC) IS      124.6609208507
 1  1 5.38581838E-01-3.38470275E-02 2.27055332E-02-2.23776331E-01 1.46277141E-01
 1  2-4.88411447E-03-2.84078708E-02-2.13548980E-03-2.92368675E-03 3.86977992E-03
 1  3-2.26334010E-03-8.84745690E-04 1.33721764E-02-7.11857464E-03-6.82013210E-03
 1  4-1.73973897E-01-8.37407613E-02-1.02033700E-01-7.28529225E-02 3.74602789E-02
 1  5 7.21391054E-02-5.68127727E-02-5.46322262E-02 2.27017405E-02
 2  1-3.38470275E-02 6.31057349E-01 9.56797042E-04 1.35296832E-01-2.17614788E-01
 2  2-6.19912803E-03-2.61452160E-02 1.01238496E-02 4.45137473E-03 6.09280501E-03
 2  3 6.03418969E-03-3.14503229E-03 2.04953460E-02-1.17308578E-02-5.36841206E-04
 2  4-7.40346897E-02-1.12066065E-01-4.76754112E-02 1.96666830E-02-7.70320767E-02
 2  5-7.25754094E-02-4.75247331E-02-2.28771601E-01 1.24723650E-01
 3  1 2.27055332E-02 9.56797042E-04 8.41728453E-01-5.26871609E-02-3.15778193E-02
 3  2-2.41960183E-01 2.80649683E-02 5.28240825E-03 3.04003985E-02-1.16945075E-02
 3  3 4.04766383E-02 1.19977086E-02 1.45519829E-02-1.84099650E-02 3.12974503E-02
 3  4-7.76874934E-02-4.94943370E-02-1.78755387E-01 6.61859995E-02-3.31624420E-02
 3  5-3.07270013E-01 1.05606778E-02 8.59287199E-02-1.87438428E-01
 4  1-2.23776331E-01 1.35296832E-01-5.26871609E-02 6.51517078E-01 3.96739938E-02
 4  2 7.23870446E-02-2.02541909E-01-1.06246552E-01 6.54380574E-02-1.04501222E-01
 4  3-3.87620645E-03-7.12250390E-02-8.76715629E-02-4.48579925E-02-3.84836108E-02
 4  4-2.85801905E-02-1.64242095E-03 1.28593017E-02-7.05305636E-03-1.73840629E-02
 4  5 1.53034294E-03 2.60719435E-03-9.63590885E-04 1.01810641E-02
 5  1 1.46277141E-01-2.17614788E-01-3.15778193E-02 3.96739938E-02 6.79157047E-01
 5  2 7.42301063E-02-8.94596958E-02-1.28127711E-01 2.20009526E-02-6.06878582E-04
 5  3-1.04784533E-01 6.28424641E-02-6.65372587E-02-2.27090141E-01-1.37195437E-01
 5  4-2.99160495E-02 9.50494583E-03 7.29316874E-03-5.25068699E-03-3.55727409E-03
 5  5-3.11223320E-04 5.81943506E-03-7.48754659E-03 2.71778843E-03
 6  1-4.88411447E-03-6.19912803E-03-2.41960183E-01 7.23870446E-02 7.42301063E-02
 6  2 9.00791494E-01 5.70107291E-02 2.28956937E-02-2.09902767E-01-8.67327016E-02
 6  3-5.98717561E-03-3.10696405E-01-2.70570800E-02-7.62903763E-02-1.96851496E-01
 6  4-1.34779781E-02 5.37751831E-03 2.28776369E-02 1.48903440E-02-3.23236872E-02
 6  5 1.33808960E-02-1.21362435E-02 1.82970488E-02 2.23608235E-02
 7  1-2.84078708E-02-2.61452160E-02 2.80649683E-02-2.02541909E-01-8.94596958E-02
 7  2 5.70107291E-02 2.15272980E-01 9.75791287E-02-8.86920221E-02 1.01360032E-02
 7  3 1.15608045E-02 2.44562086E-04-4.62551941E-03-5.71394131E-03 1.00971454E-02
 7  4 2.72320909E-03 7.94285143E-03-3.93818823E-03 3.17388388E-03 6.10473867E-03
 7  5 2.75490473E-04 4.26922369E-03-1.86867020E-03-3.06268498E-03
 8  1-2.13548980E-03 1.01238496E-02 5.28240825E-03-1.06246552E-01-1.28127711E-01
 8  2 2.28956937E-02 9.75791287E-02 1.07598848E-01-4.92474684E-02-6.21621051E-04
 8  3 1.35617675E-02 4.15499060E-03-1.60345166E-02-1.07940456E-02 2.13152284E-02
 8  4 1.01753472E-02 1.79090648E-03-5.74533429E-03 9.87967110E-03 4.07772644E-03
 8  5 1.23716719E-03 7.40403282E-03 1.76865813E-03 1.07314567E-04
 9  1-2.92368675E-03 4.45137473E-03 3.04003985E-02 6.54380574E-02 2.20009526E-02
 9  2-2.09902767E-01-8.86920221E-02-4.92474684E-02 1.37769745E-01 3.32715883E-02
 9  3 3.86647977E-02 8.71780176E-04-1.06493732E-02-1.95294629E-02 3.63205020E-02
 9  4-1.80670673E-03 8.88123483E-04 1.64858915E-03 2.62300165E-03 2.67156496E-03
 9  5 2.01953584E-03 2.73914140E-03 1.00117889E-04 8.72216504E-04
10  1 3.86977992E-03 6.09280501E-03-1.16945075E-02-1.04501222E-01-6.06878582E-04
10  2-8.67327016E-02 1.01360032E-02-6.21621051E-04 3.32715883E-02 8.84254872E-02
10  3-1.18991716E-02 7.24997560E-02 6.59769066E-03 8.97042777E-04-3.81977634E-03
10  4-8.91256312E-04 5.02023837E-03-8.53515348E-04-2.38619098E-03 2.64419003E-03
10  5-8.20538196E-04-1.25029183E-03-1.52660494E-03-1.85030534E-03
11  1-2.26334010E-03 6.03418969E-03 4.04766383E-02-3.87620645E-03-1.04784533E-01
11  2-5.98717561E-03 1.15608045E-02 1.35617675E-02 3.86647977E-02-1.18991716E-02
11  3 7.72177776E-02-6.58091235E-02-1.00096422E-04 9.55735950E-04-2.32798789E-03
11  4 1.52548089E-03 3.83062116E-03-9.48626530E-04 2.12505731E-03 5.44290085E-03
11  5-6.69561390E-04 2.92747187E-03-2.25845982E-03-3.39896103E-03
12  1-8.84745690E-04-3.14503229E-03 1.19977086E-02-7.12250390E-02 6.28424641E-02
12  2-3.10696405E-01 2.44562086E-04 4.15499060E-03 8.71780176E-04 7.24997560E-02
12  3-6.58091235E-02 2.95616972E-01-2.42284899E-03-6.80445384E-05 7.06899494E-04
12  4 1.00062001E-03 1.81742323E-03 2.48562329E-03 3.11402155E-04 1.10262754E-04
12  5-2.53575391E-04 4.76293383E-04 9.70597146E-05-7.29003042E-04
13  1 1.33721764E-02 2.04953460E-02 1.45519829E-02-8.76715629E-02-6.65372587E-02
13  2-2.70570800E-02-4.62551941E-03-1.60345166E-02-1.06493732E-02 6.59769066E-03
13  3-1.00096422E-04-2.42284899E-03 7.49596016E-02 5.91267777E-02 2.85316567E-02
13  4-1.16676758E-04 1.66558296E-03-1.04038536E-03-1.25063408E-03 2.36000825E-03
13  5-7.14187681E-04-1.26507549E-03-9.75843156E-04-1.19976446E-03
14  1-7.11857464E-03-1.17308578E-02-1.84099650E-02-4.48579925E-02-2.27090141E-01
14  2-7.62903763E-02-5.71394131E-03-1.07940456E-02-1.95294629E-02 8.97042777E-04
14  3 9.55735950E-04-6.80445384E-05 5.91267777E-02 2.47948355E-01 1.14462736E-01
14  4-1.18037939E-03 1.73632452E-03-9.03612511E-04-1.05705208E-03-9.64536988E-04
14  5 2.34759609E-04-9.58805484E-05-6.08345550E-05 5.03965555E-04
15  1-6.82013210E-03-5.36841206E-04 3.12974503E-02-3.84836108E-02-1.37195437E-01
15  2-1.96851496E-01 1.00971454E-02 2.13152284E-02 3.63205020E-02-3.81977634E-03
15  3-2.32798789E-03 7.06899494E-04 2.85316567E-02 1.14462736E-01 1.32943058E-01
15  4 4.37353819E-03 8.43396138E-04-1.60624928E-03 3.70543718E-03 4.09874466E-03
15  5-4.46217183E-04 2.41574179E-03-6.59838736E-04-2.36394815E-03
16  1-1.73973897E-01-7.40346897E-02-7.76874934E-02-2.85801905E-02-2.99160495E-02
16  2-1.34779781E-02 2.72320909E-03 1.01753472E-02-1.80670673E-03-8.91256312E-04
16  3 1.52548089E-03 1.00062001E-03-1.16676758E-04-1.18037939E-03 4.37353819E-03
16  4 2.11976212E-01 9.60535404E-02 9.46205837E-02 2.55756331E-03-3.27065343E-04
16  5-6.96133659E-04-1.36949634E-02-2.29618457E-03-6.32642997E-03
17  1-8.37407613E-02-1.12066065E-01-4.94943370E-02-1.64242095E-03 9.50494583E-03
17  2 5.37751831E-03 7.94285143E-03 1.79090648E-03 8.88123483E-04 5.02023837E-03
17  3 3.83062116E-03 1.81742323E-03 1.66558296E-03 1.73632452E-03 8.43396138E-04
17  4 9.60535404E-02 1.01795299E-01 5.53838910E-02-5.15948834E-03-5.11674201E-04
17  5-1.70865100E-03-2.01395425E-02-6.08035787E-03-1.31073641E-02
18  1-1.02033700E-01-4.76754112E-02-1.78755387E-01 1.28593017E-02 7.29316874E-03
18  2 2.28776369E-02-3.93818823E-03-5.74533429E-03 1.64858915E-03-8.53515348E-04
18  3-9.48626530E-04 2.48562329E-03-1.04038536E-03-9.03612511E-04-1.60624928E-03
18  4 9.46205837E-02 5.53838910E-02 1.18388344E-01-2.12605275E-02-2.57616957E-02
18  5 3.58477090E-03 2.16464311E-02 1.83576205E-02 3.13766722E-02
19  1-7.28529225E-02 1.96666830E-02 6.61859995E-02-7.05305636E-03-5.25068699E-03
19  2 1.48903440E-02 3.17388388E-03 9.87967110E-03 2.62300165E-03-2.38619098E-03
19  3 2.12505731E-03 3.11402155E-04-1.25063408E-03-1.05705208E-03 3.70543718E-03
19  4 2.55756331E-03-5.15948834E-03-2.12605275E-02 7.95427938E-02-2.31677136E-02
19  5-7.34125928E-02-1.73143709E-03 2.96352960E-03 6.95693572E-03
20  1 3.74602789E-02-7.70320767E-02-3.31624420E-02-1.73840629E-02-3.55727409E-03
20  2-3.23236872E-02 6.10473867E-03 4.07772644E-03 2.67156496E-03 2.64419003E-03
20  3 5.44290085E-03 1.10262754E-04 2.36000825E-03-9.64536988E-04 4.09874466E-03
20  4-3.27065343E-04-5.11674201E-04-2.57616957E-02-2.31677136E-02 6.79136474E-02
20  5 7.44376082E-02-7.69037394E-03 4.63128725E-03 9.92964435E-03
21  1 7.21391054E-02-7.25754094E-02-3.07270013E-01 1.53034294E-03-3.11223320E-04
21  2 1.33808960E-02 2.75490473E-04 1.23716719E-03 2.01953584E-03-8.20538196E-04
21  3-6.69561390E-04-2.53575391E-04-7.14187681E-04 2.34759609E-04-4.46217183E-04
21  4-6.96133659E-04-1.70865100E-03 3.58477090E-03-7.34125928E-02 7.44376082E-02
21  5 2.89609021E-01 1.69851357E-03-6.44689895E-04-6.24417976E-04
22  1-5.68127727E-02-4.75247331E-02 1.05606778E-02 2.60719435E-03 5.81943506E-03
22  2-1.21362435E-02 4.26922369E-03 7.40403282E-03 2.73914140E-03-1.25029183E-03
22  3 2.92747187E-03 4.76293383E-04-1.26507549E-03-9.58805484E-05 2.41574179E-03
22  4-1.36949634E-02-2.01395425E-02 2.16464311E-02-1.73143709E-03-7.69037394E-03
22  5 1.69851357E-03 6.78781225E-02 5.92995904E-02-2.74005555E-02
23  1-5.46322262E-02-2.28771601E-01 8.59287199E-02-9.63590885E-04-7.48754659E-03
23  2 1.82970488E-02-1.86867020E-03 1.76865813E-03 1.00117889E-04-1.52660494E-03
23  3-2.25845982E-03 9.70597146E-05-9.75843156E-04-6.08345550E-05-6.59838736E-04
23  4-2.29618457E-03-6.08035787E-03 1.83576205E-02 2.96352960E-03 4.63128725E-03
23  5-6.44689895E-04 5.92995904E-02 2.38258854E-01-1.21476038E-01
24  1 2.27017405E-02 1.24723650E-01-1.87438428E-01 1.01810641E-02 2.71778843E-03
24  2 2.23608235E-02-3.06268498E-03 1.07314567E-04 8.72216504E-04-1.85030534E-03
24  3-3.39896103E-03-7.29003042E-04-1.19976446E-03 5.03965555E-04-2.36394815E-03
24  4-6.32642997E-03-1.31073641E-02 3.13766722E-02 6.95693572E-03 9.92964435E-03
24  5-6.24417976E-04-2.74005555E-02-1.21476038E-01 1.36546085E-01
 $END
 $VIB   
         IVIB=   0 IATOM=   0 ICOORD=   0 E=     -277.9333073294
 2.262131642E-05-2.086910188E-05-7.224165002E-05 2.701635399E-05-3.576593465E-05
-1.211739579E-05 1.537206842E-05 3.464814778E-05 7.611539715E-06-1.512599861E-05
-8.733306977E-06 4.399135536E-06-1.197469530E-05-5.800417537E-06 1.971285244E-05
 8.981375602E-06 4.350369764E-05 6.066159303E-05-2.522244070E-05-1.504382136E-05
-7.720965203E-06-2.166797983E-05 8.060736981E-06-3.051096973E-07
 2.915607781E-04 2.672647189E-02 1.518306263E+00
 $END