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$DATA
FCH2CH2F eclipsed TS
CS 0
C 6.0 -0.6925072820 -0.7988605244 0.0000000000
PCSEG 0
C 6.0 0.8046473489 -0.7065132927 0.0000000000
PCSEG 0
F 9.0 1.1908333207 0.6391688374 0.0000000000
PCSEG 0
H 1.0 1.2038095841 -1.2011949591 0.8977525043
PCSEG 0
F 9.0 -1.2803332391 0.5811614480 0.0000000000
PCSEG 0
H 1.0 -1.0278492503 -1.3388477513 -0.8977525043
PCSEG 0
$END
$ZMAT IZMAT(1)=
1, 2, 1,
1, 3, 2,
2, 3, 2, 1,
1, 5, 2,
2, 5, 2, 1,
3, 5, 2, 1, 3,
1, 4, 2,
2, 4, 2, 1,
3, 4, 2, 1, 3,
1, 6, 1,
2, 6, 1, 2,
3, 6, 1, 2, 3,
1, 8, 1,
2, 8, 1, 2,
3, 8, 1, 2, 6,
1, 7, 1,
2, 7, 1, 2,
3, 7, 1, 2, 6,
$END
-------------------- DATA FROM NSERCH= 0 --------------------
COORDINATES OF SYMMETRY UNIQUE ATOMS (ANGS)
ATOM CHARGE X Y Z
------------------------------------------------------------
C 6.0 -0.6925072820 -0.7988605244 0.0000000000
C 6.0 0.8046473489 -0.7065132927 0.0000000000
F 9.0 1.1908333207 0.6391688374 0.0000000000
H 1.0 1.2038095841 -1.2011949591 0.8977525043
F 9.0 -1.2803332391 0.5811614480 0.0000000000
H 1.0 -1.0278492503 -1.3388477513 -0.8977525043
--- CLOSED SHELL ORBITALS --- GENERATED AT Sun Oct 6 23:09:01 2019
FCH2CH2F eclipsed TS
E(R-PBE)= -277.9163745324, E(NUC)= 127.3160891021, 20 ITERS
$VEC
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1 3 4.85135258E-05-2.98979248E-05-1.27503961E-04 0.00000000E+00 0.00000000E+00
1 4-1.37510678E-04-6.16013440E-04 1.00671124E-02 4.74983842E-04 1.09768354E-03
1 5 0.00000000E+00-8.22219882E-04 4.23109833E-03 0.00000000E+00-1.64464718E-04
1 6 2.95474038E-04-1.31009319E-04 1.10873867E-04 0.00000000E+00 0.00000000E+00
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