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dvb_dispersion_bp86_d3zero.out
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*****************
* O R C A *
*****************
--- An Ab Initio, DFT and Semiempirical electronic structure package ---
#######################################################
# -***- #
# Department of theory and spectroscopy #
# Directorship: Frank Neese #
# Max Planck Institute fuer Kohlenforschung #
# Kaiser Wilhelm Platz 1 #
# D-45470 Muelheim/Ruhr #
# Germany #
# #
# All rights reserved #
# -***- #
#######################################################
Program Version 4.1.2 - RELEASE -
With contributions from (in alphabetic order):
Daniel Aravena : Magnetic Properties
Michael Atanasov : Ab Initio Ligand Field Theory
Alexander A. Auer : GIAO ZORA
Ute Becker : Parallelization
Giovanni Bistoni : ED, Open-shell LED
Martin Brehm : Molecular dynamics
Dmytro Bykov : SCF Hessian
Vijay G. Chilkuri : MRCI spin determinant printing
Dipayan Datta : RHF DLPNO-CCSD density
Achintya Kumar Dutta : EOM-CC, STEOM-CC
Dmitry Ganyushin : Spin-Orbit,Spin-Spin,Magnetic field MRCI
Miquel Garcia : C-PCM Hessian
Yang Guo : DLPNO-NEVPT2, CIM, IAO-localization
Andreas Hansen : Spin unrestricted coupled pair/coupled cluster methods
Benjamin Helmich-Paris : CASSCF linear response (MC-RPA)
Lee Huntington : MR-EOM, pCC
Robert Izsak : Overlap fitted RIJCOSX, COSX-SCS-MP3, EOM
Christian Kollmar : KDIIS, OOCD, Brueckner-CCSD(T), CCSD density
Simone Kossmann : Meta GGA functionals, TD-DFT gradient, OOMP2, MP2 Hessian
Martin Krupicka : AUTO-CI
Lucas Lang : DCDCAS
Dagmar Lenk : GEPOL surface, SMD
Dimitrios Liakos : Extrapolation schemes; parallel MDCI
Dimitrios Manganas : ROCIS; embedding schemes
Dimitrios Pantazis : SARC Basis sets
Taras Petrenko : DFT Hessian,TD-DFT gradient, ASA, ECA, R-Raman, ABS, FL, XAS/XES, NRVS
Peter Pinski : DLPNO-MP2, DLPNO-MP2 Gradient
Christoph Reimann : Effective Core Potentials
Marius Retegan : Local ZFS, SOC
Christoph Riplinger : Optimizer, TS searches, QM/MM, DLPNO-CCSD(T), (RO)-DLPNO pert. Triples
Tobias Risthaus : Range-separated hybrids, TD-DFT gradient, RPA, STAB
Michael Roemelt : Restricted open shell CIS
Masaaki Saitow : Open-shell DLPNO
Barbara Sandhoefer : DKH picture change effects
Avijit Sen : IP-ROCIS
Kantharuban Sivalingam : CASSCF convergence, NEVPT2, FIC-MRCI
Bernardo de Souza : ESD, SOC TD-DFT
Georgi Stoychev : AutoAux, RI-MP2 NMR
Willem Van den Heuvel : Paramagnetic NMR
Boris Wezisla : Elementary symmetry handling
Frank Wennmohs : Technical directorship
We gratefully acknowledge several colleagues who have allowed us to
interface, adapt or use parts of their codes:
Stefan Grimme, W. Hujo, H. Kruse, : VdW corrections, initial TS optimization,
C. Bannwarth DFT functionals, gCP, sTDA/sTD-DF
Ed Valeev : LibInt (2-el integral package), F12 methods
Garnet Chan, S. Sharma, J. Yang, R. Olivares : DMRG
Ulf Ekstrom : XCFun DFT Library
Mihaly Kallay : mrcc (arbitrary order and MRCC methods)
Andreas Klamt, Michael Diedenhofen : otool_cosmo (COSMO solvation model)
Jiri Pittner, Ondrej Demel : Mk-CCSD
Frank Weinhold : gennbo (NPA and NBO analysis)
Christopher J. Cramer and Donald G. Truhlar : smd solvation model
Lars Goerigk : TD-DFT with DH, B97 family of functionals
V. Asgeirsson, H. Jonsson : NEB implementation
FAccTs GmbH : IRC, NEB, NEB-TS, Multilevel
Your calculation uses the libint2 library for the computation of 2-el integrals
For citations please refer to: http://libint.valeyev.net
This ORCA versions uses:
CBLAS interface : Fast vector & matrix operations
LAPACKE interface : Fast linear algebra routines
SCALAPACK package : Parallel linear algebra routines
Your calculation utilizes the atom-pairwise dispersion correction
with the zero-damping scheme (D30)
Cite in your paper:
S.Grimme, J.Antony, S.Ehrlich and H.Krieg, J.Chem.Phys., 132, (2010), 154104
----- Orbital basis set information -----
Your calculation utilizes the basis: STO-3G
H-Ne : W. J. Hehre, R. F. Stewart and J. A. Pople, J. Chem. Phys. 2657 (1969).
Na-Ar : W. J. Hehre, R. Ditchfield, R. F. Stewart and J. A. Pople, J. Chem. Phys. 2769 (1970).
K,Ca,Ga-Kr : W. J. Pietro, B. A. Levy, W. J. Hehre and R. F. Stewart, J. Am. Chem. Soc. 19, 2225 (1980).
Sc-Zn,Y-Cd : W. J. Pietro and W. J. Hehre, J. Comp. Chem. 4, 241 (1983).
================================================================================
WARNINGS
Please study these warnings very carefully!
================================================================================
INFO : the flag for use of LIBINT has been found!
================================================================================
INPUT FILE
================================================================================
NAME = dvb_dispersion_bp86_d3zero.in
| 1> ! rks bp86 sto-3g nori nousesym noautostart d3zero verytightscf
| 2>
| 3> %output
| 4> PrintLevel Normal
| 5> Print[ P_Basis] 2
| 6> Print[ P_MOs ] 1
| 7> Print[ P_Overlap ] 1
| 8> end
| 9>
| 10> * xyz 0 1
| 11> C 0.27867948 -1.36683162 0.00000000
| 12> C 1.32303041 -0.44173575 0.00000000
| 13> C 1.04434506 0.92484978 0.00000000
| 14> C -0.27867948 1.36683162 0.00000000
| 15> C -1.32303041 0.44173575 0.00000000
| 16> C -1.04434506 -0.92484978 0.00000000
| 17> H 2.36595443 -0.79037726 0.00000000
| 18> H 1.86746094 1.65407997 0.00000000
| 19> H -2.36595443 0.79037726 0.00000000
| 20> H -1.86746094 -1.65407997 0.00000000
| 21> C -0.58659169 2.87589931 0.00000000
| 22> C 0.36350188 3.80076420 0.00000000
| 23> H -1.65647768 3.12394312 0.00000000
| 24> H 0.14429560 4.87693235 0.00000000
| 25> H 1.43338788 3.55272039 0.00000000
| 26> C 0.58659169 -2.87589931 0.00000000
| 27> C -0.36350188 -3.80076420 0.00000000
| 28> H 1.65647768 -3.12394312 0.00000000
| 29> H -0.14429560 -4.87693235 0.00000000
| 30> H -1.43338788 -3.55272039 0.00000000
| 31> *
| 32>
| 33> ****END OF INPUT****
================================================================================
****************************
* Single Point Calculation *
****************************
---------------------------------
CARTESIAN COORDINATES (ANGSTROEM)
---------------------------------
C 0.278679 -1.366832 0.000000
C 1.323030 -0.441736 0.000000
C 1.044345 0.924850 0.000000
C -0.278679 1.366832 0.000000
C -1.323030 0.441736 0.000000
C -1.044345 -0.924850 0.000000
H 2.365954 -0.790377 0.000000
H 1.867461 1.654080 0.000000
H -2.365954 0.790377 0.000000
H -1.867461 -1.654080 0.000000
C -0.586592 2.875899 0.000000
C 0.363502 3.800764 0.000000
H -1.656478 3.123943 0.000000
H 0.144296 4.876932 0.000000
H 1.433388 3.552720 0.000000
C 0.586592 -2.875899 0.000000
C -0.363502 -3.800764 0.000000
H 1.656478 -3.123943 0.000000
H -0.144296 -4.876932 0.000000
H -1.433388 -3.552720 0.000000
----------------------------
CARTESIAN COORDINATES (A.U.)
----------------------------
NO LB ZA FRAG MASS X Y Z
0 C 6.0000 0 12.011 0.526628 -2.582937 0.000000
1 C 6.0000 0 12.011 2.500165 -0.834760 0.000000
2 C 6.0000 0 12.011 1.973526 1.747713 0.000000
3 C 6.0000 0 12.011 -0.526628 2.582937 0.000000
4 C 6.0000 0 12.011 -2.500165 0.834760 0.000000
5 C 6.0000 0 12.011 -1.973526 -1.747713 0.000000
6 H 1.0000 0 1.008 4.471006 -1.493597 0.000000
7 H 1.0000 0 1.008 3.528990 3.125758 0.000000
8 H 1.0000 0 1.008 -4.471006 1.493597 0.000000
9 H 1.0000 0 1.008 -3.528990 -3.125758 0.000000
10 C 6.0000 0 12.011 -1.108498 5.434662 0.000000
11 C 6.0000 0 12.011 0.686919 7.182403 0.000000
12 H 1.0000 0 1.008 -3.130289 5.903397 0.000000
13 H 1.0000 0 1.008 0.272679 9.216067 0.000000
14 H 1.0000 0 1.008 2.708711 6.713669 0.000000
15 C 6.0000 0 12.011 1.108498 -5.434662 0.000000
16 C 6.0000 0 12.011 -0.686919 -7.182403 0.000000
17 H 1.0000 0 1.008 3.130289 -5.903397 0.000000
18 H 1.0000 0 1.008 -0.272679 -9.216067 0.000000
19 H 1.0000 0 1.008 -2.708711 -6.713669 0.000000
--------------------------------
INTERNAL COORDINATES (ANGSTROEM)
--------------------------------
C 0 0 0 0.000000000000 0.00000000 0.00000000
C 1 0 0 1.395159931220 0.00000000 0.00000000
C 2 1 0 1.394711990022 120.00864270 0.00000000
C 3 2 1 1.394898519725 119.99907158 0.00000000
C 4 3 2 1.395159931220 119.99228572 0.00000000
C 5 4 3 1.394711990022 120.00864270 0.00000000
H 2 1 3 1.099655134116 119.98078866 180.00000000
H 3 2 1 1.099680145277 120.01279270 180.00000000
H 5 4 3 1.099655134116 119.98078866 180.00000000
H 6 5 4 1.099680145277 120.01279270 180.00000000
C 4 3 2 1.540160777993 120.00529475 180.00000000
C 11 4 3 1.325915855743 122.69669283 0.00000000
H 11 4 3 1.098263066518 114.58532990 180.00000000
H 12 11 4 1.098266488729 122.71593921 180.00000085
H 12 11 4 1.098263076260 122.71797739 0.00000000
C 1 2 3 1.540160777993 120.00241953 180.00000000
C 16 1 2 1.325915855743 122.69669283 180.00000000
H 16 1 2 1.098263066518 114.58532990 0.00000000
H 17 16 1 1.098266488729 122.71593921 180.00000085
H 17 16 1 1.098263076260 122.71797739 0.00000000
---------------------------
INTERNAL COORDINATES (A.U.)
---------------------------
C 0 0 0 0.000000000000 0.00000000 0.00000000
C 1 0 0 2.636470183027 0.00000000 0.00000000
C 2 1 0 2.635623696837 120.00864270 0.00000000
C 3 2 1 2.635976186893 119.99907158 0.00000000
C 4 3 2 2.636470183027 119.99228572 0.00000000
C 5 4 3 2.635623696837 120.00864270 0.00000000
H 2 1 3 2.078047045240 119.98078866 180.00000000
H 3 2 1 2.078094309484 120.01279270 180.00000000
H 5 4 3 2.078047045240 119.98078866 180.00000000
H 6 5 4 2.078094309484 120.01279270 180.00000000
C 4 3 2 2.910482072614 120.00529475 180.00000000
C 11 4 3 2.505617843978 122.69669283 0.00000000
H 11 4 3 2.075416418720 114.58532990 180.00000000
H 12 11 4 2.075422885762 122.71593921 180.00000085
H 12 11 4 2.075416437129 122.71797739 0.00000000
C 1 2 3 2.910482072614 120.00241953 180.00000000
C 16 1 2 2.505617843978 122.69669283 180.00000000
H 16 1 2 2.075416418720 114.58532990 0.00000000
H 17 16 1 2.075422885762 122.71593921 180.00000085
H 17 16 1 2.075416437129 122.71797739 0.00000000
---------------------
BASIS SET INFORMATION
---------------------
There are 2 groups of distinct atoms
Group 1 Type C : 6s3p contracted to 2s1p pattern {33/3}
Group 2 Type H : 3s contracted to 1s pattern {3}
Atom 0C basis set group => 1
Atom 1C basis set group => 1
Atom 2C basis set group => 1
Atom 3C basis set group => 1
Atom 4C basis set group => 1
Atom 5C basis set group => 1
Atom 6H basis set group => 2
Atom 7H basis set group => 2
Atom 8H basis set group => 2
Atom 9H basis set group => 2
Atom 10C basis set group => 1
Atom 11C basis set group => 1
Atom 12H basis set group => 2
Atom 13H basis set group => 2
Atom 14H basis set group => 2
Atom 15C basis set group => 1
Atom 16C basis set group => 1
Atom 17H basis set group => 2
Atom 18H basis set group => 2
Atom 19H basis set group => 2
-------------------------
BASIS SET IN INPUT FORMAT
-------------------------
# Basis set for element : H
NewGTO H
S 3
1 3.4252509100 0.1543289707
2 0.6239137300 0.5353281424
3 0.1688554000 0.4446345420
end;
# Basis set for element : C
NewGTO C
S 3
1 71.6168370000 0.1543289700
2 13.0450960000 0.5353281400
3 3.5305122000 0.4446345400
S 3
1 2.9412494000 -0.0999672301
2 0.6834831000 0.3995128303
3 0.2222899000 0.7001154705
P 3
1 2.9412494000 0.1559162721
2 0.6834831000 0.6076837282
3 0.2222899000 0.3919573953
end;
------------------------------------------------------------------------------
ORCA GTO INTEGRAL CALCULATION
------------------------------------------------------------------------------
BASIS SET STATISTICS AND STARTUP INFO
# of primitive gaussian shells ... 120
# of primitive gaussian functions ... 180
# of contracted shells ... 40
# of contracted basis functions ... 60
Highest angular momentum ... 1
Maximum contraction depth ... 3
Integral package used ... LIBINT
Integral threshhold Thresh ... 1.000e-12
Primitive cut-off TCut ... 1.000e-14
------------------------------ INTEGRAL EVALUATION ----------------------------
* One electron integrals
Pre-screening matrix ... done
Shell pair data ... done ( 0.000 sec)
-------------------------------------------------------------------------------
ORCA SCF
-------------------------------------------------------------------------------
------------
SCF SETTINGS
------------
Hamiltonian:
Density Functional Method .... DFT(GTOs)
Exchange Functional Exchange .... B88
X-Alpha parameter XAlpha .... 0.666667
Becke's b parameter XBeta .... 0.004200
Correlation Functional Correlation .... P86
LDA part of GGA corr. LDAOpt .... PW91-LDA
Gradients option PostSCFGGA .... off
Density functional embedding theory .... OFF
General Settings:
Integral files IntName .... dvb_dispersion_bp86_d3zero
Hartree-Fock type HFTyp .... RHF
Total Charge Charge .... 0
Multiplicity Mult .... 1
Number of Electrons NEL .... 70
Basis Dimension Dim .... 60
Nuclear Repulsion ENuc .... 450.0061360697 Eh
Convergence Acceleration:
DIIS CNVDIIS .... on
Start iteration DIISMaxIt .... 12
Startup error DIISStart .... 0.200000
# of expansion vecs DIISMaxEq .... 5
Bias factor DIISBfac .... 1.050
Max. coefficient DIISMaxC .... 10.000
Newton-Raphson CNVNR .... off
SOSCF CNVSOSCF .... on
Start iteration SOSCFMaxIt .... 150
Startup grad/error SOSCFStart .... 0.003300
Level Shifting CNVShift .... on
Level shift para. LevelShift .... 0.2500
Turn off err/grad. ShiftErr .... 0.0010
Zerner damping CNVZerner .... off
Static damping CNVDamp .... on
Fraction old density DampFac .... 0.7000
Max. Damping (<1) DampMax .... 0.9800
Min. Damping (>=0) DampMin .... 0.0000
Turn off err/grad. DampErr .... 0.1000
Fernandez-Rico CNVRico .... off
SCF Procedure:
Maximum # iterations MaxIter .... 125
SCF integral mode SCFMode .... Direct
Integral package .... LIBINT
Reset frequency DirectResetFreq .... 20
Integral Threshold Thresh .... 1.000e-12 Eh
Primitive CutOff TCut .... 1.000e-14 Eh
Convergence Tolerance:
Convergence Check Mode ConvCheckMode .... Total+1el-Energy
Convergence forced ConvForced .... 0
Energy Change TolE .... 1.000e-09 Eh
1-El. energy change .... 1.000e-06 Eh
Orbital Gradient TolG .... 2.000e-06
Orbital Rotation angle TolX .... 2.000e-06
DIIS Error TolErr .... 1.000e-08
Diagonalization of the overlap matrix:
Smallest eigenvalue ... 1.714e-01
Time for diagonalization ... 0.114 sec
Threshold for overlap eigenvalues ... 1.000e-08
Number of eigenvalues below threshold ... 0
Time for construction of square roots ... 0.002 sec
Total time needed ... 0.116 sec
--------------
OVERLAP MATRIX
--------------
0 1 2 3 4 5
0 1.000000 0.248362 0.000000 -0.000000 0.000000 0.000001
1 0.248362 1.000000 0.000000 0.000000 0.000000 0.037948
2 0.000000 0.000000 1.000000 0.000000 0.000000 0.000000
3 -0.000000 0.000000 0.000000 1.000000 0.000000 0.047095
4 0.000000 0.000000 0.000000 0.000000 1.000000 0.041717
5 0.000001 0.037948 0.000000 0.047095 0.041717 1.000000
6 0.037948 0.367071 0.000000 0.291669 0.258363 0.248362
7 0.000000 0.000000 0.214903 0.000000 0.000000 0.000000
8 -0.047095 -0.291669 0.000000 -0.089353 -0.269513 0.000000
9 -0.041717 -0.258363 0.000000 -0.269513 -0.023834 -0.000000
10 0.000000 0.001843 0.000000 0.001344 0.004024 0.000001
11 0.001843 0.061276 0.000000 0.028565 0.085498 0.037989
12 0.000000 0.000000 0.025662 0.000000 0.000000 0.000000
13 -0.001344 -0.028565 0.000000 0.010958 -0.044008 0.012585
14 -0.004024 -0.085498 0.000000 -0.044008 -0.106056 -0.061711
15 0.000000 0.000422 0.000000 -0.000224 0.001098 0.000000
16 0.000422 0.026385 0.000000 -0.008467 0.041527 0.001845
17 0.000000 0.000000 0.010188 0.000000 0.000000 0.000000
18 0.000224 0.008467 0.000000 0.007258 0.014371 0.002816
19 -0.001098 -0.041527 0.000000 0.014371 -0.060298 -0.003179
20 0.000000 0.001845 0.000000 -0.002816 0.003179 0.000000
21 0.001845 0.061320 0.000000 -0.059803 0.067527 0.000423
22 0.000000 0.000000 0.025682 0.000000 0.000000 0.000000
23 0.002816 0.059803 0.000000 -0.038717 0.072716 0.001064
24 -0.003179 -0.067527 0.000000 0.072716 -0.056425 -0.000355
25 0.000001 0.037972 0.000000 -0.059710 0.019947 0.000000
26 0.037972 0.367203 0.000000 -0.369656 0.123491 0.001843
27 0.000000 0.000000 0.215005 0.000000 0.000000 0.000000
28 0.059710 0.369656 0.000000 -0.273573 0.163219 0.004157
29 -0.019947 -0.123491 0.000000 0.163219 0.160479 0.000848
30 0.005291 0.095590 0.000000 0.119141 0.032904 0.060887
31 0.000092 0.006444 0.000000 0.004973 0.009456 0.005291
32 0.000092 0.006450 0.000000 -0.008286 0.006759 0.000012
33 0.005292 0.095614 0.000000 -0.122535 -0.016401 0.000092
34 0.000000 0.000000 0.000000 -0.000000 0.000000 0.000000
35 0.000000 0.000293 0.000000 -0.000129 0.000632 0.000002
36 0.000000 0.000000 0.000094 0.000000 0.000000 0.000000
37 0.000000 0.000129 0.000000 0.000037 0.000282 0.000004
38 -0.000000 -0.000632 0.000000 0.000282 -0.001287 -0.000007
39 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000
40 0.000000 0.000012 0.000000 0.000001 0.000032 0.000000
41 0.000000 0.000000 0.000004 0.000000 0.000000 0.000000
42 -0.000000 -0.000001 0.000000 0.000004 -0.000001 0.000000
43 -0.000000 -0.000032 0.000000 -0.000001 -0.000078 -0.000000
44 0.000000 0.000086 0.000000 -0.000073 0.000170 0.000000
45 0.000000 0.000000 0.000000 -0.000000 0.000001 0.000000
46 0.000000 0.000049 0.000000 0.000025 0.000106 0.000007
47 0.000000 0.026588 0.000000 0.008914 -0.043687 0.000000
48 0.026588 0.298494 0.000000 0.067246 -0.329571 0.001144
49 0.000000 0.000000 0.164306 0.000000 0.000000 0.000000
50 -0.008914 -0.067246 0.000000 0.145184 0.093716 0.000802
51 0.043687 0.329571 0.000000 0.093716 -0.294992 0.002650
52 0.000000 0.001263 0.000000 -0.000772 -0.002927 0.000000
53 0.001263 0.049268 0.000000 -0.018955 -0.071842 0.000003
54 0.000000 0.000000 0.020155 0.000000 0.000000 0.000000
55 0.000772 0.018955 0.000000 0.012160 -0.030299 0.000006
56 0.002927 0.071842 0.000000 -0.030299 -0.094683 0.000011
57 0.004445 0.084383 0.000000 0.068398 -0.087228 0.001149
58 0.000056 0.004732 0.000000 -0.000959 -0.007955 0.000000
59 0.000909 0.028273 0.000000 -0.025743 -0.032867 0.000003
6 7 8 9 10 11
0 0.037948 0.000000 -0.047095 -0.041717 0.000000 0.001843
1 0.367071 0.000000 -0.291669 -0.258363 0.001843 0.061276
2 0.000000 0.214903 0.000000 0.000000 0.000000 0.000000
3 0.291669 0.000000 -0.089353 -0.269513 0.001344 0.028565
4 0.258363 0.000000 -0.269513 -0.023834 0.004024 0.085498
5 0.248362 0.000000 0.000000 -0.000000 0.000001 0.037989
6 1.000000 0.000000 0.000000 0.000000 0.037989 0.367296
7 0.000000 1.000000 0.000000 0.000000 0.000000 0.000000
8 0.000000 0.000000 1.000000 0.000000 -0.012585 -0.077889
9 0.000000 0.000000 0.000000 1.000000 0.061711 0.381945
10 0.037989 0.000000 -0.012585 0.061711 1.000000 0.248362
11 0.367296 0.000000 -0.077889 0.381945 0.248362 1.000000
12 0.000000 0.215078 0.000000 0.000000 0.000000 0.000000
13 0.077889 0.000000 0.193390 0.106348 -0.000000 0.000000
14 -0.381945 0.000000 0.106348 -0.306418 0.000000 -0.000000
15 0.001845 0.000000 -0.002816 0.003179 0.000001 0.037972
16 0.061320 0.000000 -0.059803 0.067527 0.037972 0.367203
17 0.000000 0.025682 0.000000 0.000000 0.000000 0.000000
18 0.059803 0.000000 -0.038717 0.072716 0.059710 0.369656
19 -0.067527 0.000000 0.072716 -0.056425 -0.019947 -0.123491
20 0.000423 0.000000 -0.001064 0.000355 0.000000 0.001843
21 0.026400 0.000000 -0.040221 0.013429 0.001843 0.061281
22 0.000000 0.010194 0.000000 0.000000 0.000000 0.000000
23 0.040221 0.000000 -0.055891 0.022065 0.004157 0.088329
24 -0.013429 0.000000 0.022065 0.002827 0.000848 0.018025
25 0.001843 0.000000 -0.004157 -0.000848 0.000000 0.000422
26 0.061281 0.000000 -0.088329 -0.018025 0.000422 0.026380
27 0.000000 0.025664 0.000000 0.000000 0.000000 0.000000
28 0.088329 0.000000 -0.114912 -0.028688 0.000839 0.031722
29 0.018025 0.000000 -0.028688 0.019810 0.000743 0.028093
30 0.485213 0.000000 0.440005 -0.147090 0.005292 0.095605
31 0.095597 0.000000 0.031078 0.119638 0.060884 0.485198
32 0.001847 0.000000 -0.003153 0.001053 0.000092 0.006449
33 0.006447 0.000000 -0.009991 -0.003797 0.000012 0.001846
34 0.000002 0.000000 -0.000004 0.000007 0.000000 0.001145
35 0.001528 0.000000 -0.001517 0.002636 0.001145 0.046553
36 0.000000 0.000509 0.000000 0.000000 0.000000 0.000000
37 0.001517 0.000000 -0.001039 0.002690 0.001777 0.045307
38 -0.002636 0.000000 0.002690 -0.004164 -0.002126 -0.054200
39 0.000000 0.000000 -0.000000 0.000000 0.000000 0.000206
40 0.000274 0.000000 -0.000133 0.000590 0.000206 0.017611
41 0.000000 0.000088 0.000000 0.000000 0.000000 0.000000
42 0.000133 0.000000 0.000022 0.000291 0.000133 0.006756
43 -0.000590 0.000000 0.000291 -0.001200 -0.000562 -0.028538
44 0.000192 0.000000 -0.000254 0.000304 0.000069 0.005410
45 0.000012 0.000000 -0.000006 0.000027 0.000006 0.001166
46 0.001372 0.000000 0.000069 0.002514 0.001328 0.036482
47 0.001144 0.000000 -0.000802 -0.002650 0.000000 0.000002
48 0.046534 0.000000 -0.020449 -0.067591 0.000002 0.001527
49 0.000000 0.018926 0.000000 0.000000 0.000000 0.000000
50 0.020449 0.000000 0.009092 -0.032504 0.000001 0.000363
51 0.067591 0.000000 -0.032504 -0.088509 0.000008 0.003017
52 0.000003 0.000000 -0.000006 -0.000011 0.000000 0.000000
53 0.001892 0.000000 -0.001666 -0.003319 0.000000 0.000032
54 0.000000 0.000634 0.000000 0.000000 0.000000 0.000000
55 0.001666 0.000000 -0.000878 -0.003012 0.000000 0.000022
56 0.003319 0.000000 -0.003012 -0.005364 0.000000 0.000075
57 0.033093 0.000000 0.005940 -0.047784 0.000005 0.001035
58 0.000178 0.000000 -0.000115 -0.000348 0.000000 0.000002
59 0.000866 0.000000 -0.001082 -0.001221 0.000000 0.000039
12 13 14 15 16 17
0 0.000000 -0.001344 -0.004024 0.000000 0.000422 0.000000
1 0.000000 -0.028565 -0.085498 0.000422 0.026385 0.000000
2 0.025662 0.000000 0.000000 0.000000 0.000000 0.010188
3 0.000000 0.010958 -0.044008 -0.000224 -0.008467 0.000000
4 0.000000 -0.044008 -0.106056 0.001098 0.041527 0.000000
5 0.000000 0.012585 -0.061711 0.000000 0.001845 0.000000
6 0.000000 0.077889 -0.381945 0.001845 0.061320 0.000000
7 0.215078 0.000000 0.000000 0.000000 0.000000 0.025682
8 0.000000 0.193390 0.106348 -0.002816 -0.059803 0.000000
9 0.000000 0.106348 -0.306418 0.003179 0.067527 0.000000
10 0.000000 -0.000000 0.000000 0.000001 0.037972 0.000000
11 0.000000 0.000000 -0.000000 0.037972 0.367203 0.000000
12 1.000000 0.000000 0.000000 0.000000 0.000000 0.215005
13 0.000000 1.000000 0.000000 -0.059710 -0.369656 0.000000
14 0.000000 0.000000 1.000000 0.019947 0.123491 0.000000
15 0.000000 -0.059710 0.019947 1.000000 0.248362 0.000000
16 0.000000 -0.369656 0.123491 0.248362 1.000000 0.000000
17 0.215005 0.000000 0.000000 0.000000 0.000000 1.000000
18 0.000000 -0.273573 0.163219 0.000000 0.000000 0.000000
19 0.000000 0.163219 0.160479 -0.000000 -0.000000 0.000000
20 0.000000 -0.004157 -0.000848 0.000001 0.037948 0.000000
21 0.000000 -0.088329 -0.018025 0.037948 0.367071 0.000000
22 0.025664 0.000000 0.000000 0.000000 0.000000 0.214903
23 0.000000 -0.114912 -0.028688 0.047095 0.291669 0.000000
24 0.000000 -0.028688 0.019810 0.041717 0.258363 0.000000
25 0.000000 -0.000839 -0.000743 0.000000 0.001843 0.000000
26 0.000000 -0.031722 -0.028093 0.001843 0.061276 0.000000
27 0.010185 0.000000 0.000000 0.000000 0.000000 0.025662
28 0.000000 -0.030955 -0.036433 0.001344 0.028565 0.000000
29 0.000000 -0.036433 -0.022079 0.004024 0.085498 0.000000
30 0.000000 0.075450 -0.097921 0.000092 0.006450 0.000000
31 0.000000 0.347255 0.307646 0.005292 0.095614 0.000000
32 0.000000 -0.010683 -0.000421 0.005291 0.095590 0.000000
33 0.000000 -0.002486 -0.002202 0.000092 0.006444 0.000000
34 0.000000 -0.001777 0.002126 0.000000 0.026588 0.000000
35 0.000000 -0.045307 0.054200 0.026588 0.298494 0.000000
36 0.018934 0.000000 0.000000 0.000000 0.000000 0.164306
37 0.000000 -0.029319 0.057725 0.008914 0.067246 0.000000
38 0.000000 0.057725 -0.050120 -0.043687 -0.329571 0.000000
39 0.000000 -0.000133 0.000562 0.000000 0.001263 0.000000
40 0.000000 -0.006756 0.028538 0.001263 0.049268 0.000000
41 0.006590 0.000000 0.000000 0.000000 0.000000 0.020155
42 0.000000 0.003819 0.011704 -0.000772 -0.018955 0.000000
43 0.000000 0.011704 -0.042848 -0.002927 -0.071842 0.000000
44 0.000000 -0.007040 0.005732 0.004445 0.084383 0.000000
45 0.000000 -0.000479 0.002105 0.000056 0.004732 0.000000
46 0.000000 0.007701 0.052018 0.000909 0.028273 0.000000
47 0.000000 -0.000001 -0.000008 0.000000 0.000000 0.000000
48 0.000000 -0.000363 -0.003017 0.000000 0.000293 0.000000
49 0.000508 0.000000 0.000000 0.000000 0.000000 0.000094
50 0.000000 0.000419 -0.000738 -0.000000 -0.000129 0.000000
51 0.000000 -0.000738 -0.005619 0.000000 0.000632 0.000000
52 0.000000 -0.000000 -0.000000 0.000000 0.000000 0.000000
53 0.000000 -0.000022 -0.000075 0.000000 0.000012 0.000000
54 0.000010 0.000000 0.000000 0.000000 0.000000 0.000004
55 0.000000 -0.000006 -0.000054 0.000000 0.000001 0.000000
56 0.000000 -0.000054 -0.000170 0.000000 0.000032 0.000000
57 0.000000 0.000289 -0.001909 0.000000 0.000086 0.000000
58 0.000000 -0.000001 -0.000005 0.000000 0.000000 0.000000
59 0.000000 -0.000043 -0.000077 0.000000 0.000049 0.000000
18 19 20 21 22 23
0 0.000224 -0.001098 0.000000 0.001845 0.000000 0.002816
1 0.008467 -0.041527 0.001845 0.061320 0.000000 0.059803
2 0.000000 0.000000 0.000000 0.000000 0.025682 0.000000
3 0.007258 0.014371 -0.002816 -0.059803 0.000000 -0.038717
4 0.014371 -0.060298 0.003179 0.067527 0.000000 0.072716
5 0.002816 -0.003179 0.000000 0.000423 0.000000 0.001064
6 0.059803 -0.067527 0.000423 0.026400 0.000000 0.040221
7 0.000000 0.000000 0.000000 0.000000 0.010194 0.000000
8 -0.038717 0.072716 -0.001064 -0.040221 0.000000 -0.055891
9 0.072716 -0.056425 0.000355 0.013429 0.000000 0.022065
10 0.059710 -0.019947 0.000000 0.001843 0.000000 0.004157
11 0.369656 -0.123491 0.001843 0.061281 0.000000 0.088329
12 0.000000 0.000000 0.000000 0.000000 0.025664 0.000000
13 -0.273573 0.163219 -0.004157 -0.088329 0.000000 -0.114912
14 0.163219 0.160479 -0.000848 -0.018025 0.000000 -0.028688
15 0.000000 -0.000000 0.000001 0.037948 0.000000 0.047095
16 0.000000 -0.000000 0.037948 0.367071 0.000000 0.291669
17 0.000000 0.000000 0.000000 0.000000 0.214903 0.000000
18 1.000000 0.000000 -0.047095 -0.291669 0.000000 -0.089353
19 0.000000 1.000000 -0.041717 -0.258363 0.000000 -0.269513
20 -0.047095 -0.041717 1.000000 0.248362 0.000000 -0.000000
21 -0.291669 -0.258363 0.248362 1.000000 0.000000 -0.000000
22 0.000000 0.000000 0.000000 0.000000 1.000000 0.000000
23 -0.089353 -0.269513 -0.000000 -0.000000 0.000000 1.000000
24 -0.269513 -0.023834 0.000000 -0.000000 0.000000 0.000000
25 -0.001344 -0.004024 0.000001 0.037989 0.000000 0.012585
26 -0.028565 -0.085498 0.037989 0.367296 0.000000 0.077889
27 0.000000 0.000000 0.000000 0.000000 0.215078 0.000000
28 0.010958 -0.044008 -0.012585 -0.077889 0.000000 0.193390
29 -0.044008 -0.106056 0.061711 0.381945 0.000000 0.106348
30 0.008286 -0.006759 0.000012 0.001847 0.000000 0.003153
31 0.122535 0.016401 0.000092 0.006447 0.000000 0.009991
32 -0.119141 -0.032904 0.060887 0.485213 0.000000 -0.440005
33 -0.004973 -0.009456 0.005291 0.095597 0.000000 -0.031078
34 -0.008914 0.043687 0.000000 0.001144 0.000000 0.000802
35 -0.067246 0.329571 0.001144 0.046534 0.000000 0.020449
36 0.000000 0.000000 0.000000 0.000000 0.018926 0.000000
37 0.145184 0.093716 -0.000802 -0.020449 0.000000 0.009092
38 0.093716 -0.294992 -0.002650 -0.067591 0.000000 -0.032504
39 0.000772 0.002927 0.000000 0.000003 0.000000 0.000006
40 0.018955 0.071842 0.000003 0.001892 0.000000 0.001666
41 0.000000 0.000000 0.000000 0.000000 0.000634 0.000000
42 0.012160 -0.030299 -0.000006 -0.001666 0.000000 -0.000878
43 -0.030299 -0.094683 -0.000011 -0.003319 0.000000 -0.003012
44 -0.068398 0.087228 0.001149 0.033093 0.000000 -0.005940
45 0.000959 0.007955 0.000000 0.000178 0.000000 0.000115
46 0.025743 0.032867 0.000003 0.000866 0.000000 0.001082
47 0.000000 -0.000000 0.000000 0.000002 0.000000 0.000004
48 0.000129 -0.000632 0.000002 0.001528 0.000000 0.001517
49 0.000000 0.000000 0.000000 0.000000 0.000509 0.000000
50 0.000037 0.000282 -0.000004 -0.001517 0.000000 -0.001039
51 0.000282 -0.001287 0.000007 0.002636 0.000000 0.002690
52 -0.000000 -0.000000 0.000000 0.000000 0.000000 0.000000
53 -0.000001 -0.000032 0.000000 0.000274 0.000000 0.000133
54 0.000000 0.000000 0.000000 0.000000 0.000088 0.000000
55 0.000004 -0.000001 -0.000000 -0.000133 0.000000 0.000022
56 -0.000001 -0.000078 0.000000 0.000590 0.000000 0.000291
57 0.000073 -0.000170 0.000000 0.000192 0.000000 0.000254
58 0.000000 -0.000001 0.000000 0.000012 0.000000 0.000006
59 -0.000025 -0.000106 0.000007 0.001372 0.000000 -0.000069
24 25 26 27 28 29
0 -0.003179 0.000001 0.037972 0.000000 0.059710 -0.019947
1 -0.067527 0.037972 0.367203 0.000000 0.369656 -0.123491
2 0.000000 0.000000 0.000000 0.215005 0.000000 0.000000
3 0.072716 -0.059710 -0.369656 0.000000 -0.273573 0.163219
4 -0.056425 0.019947 0.123491 0.000000 0.163219 0.160479
5 -0.000355 0.000000 0.001843 0.000000 0.004157 0.000848
6 -0.013429 0.001843 0.061281 0.000000 0.088329 0.018025
7 0.000000 0.000000 0.000000 0.025664 0.000000 0.000000
8 0.022065 -0.004157 -0.088329 0.000000 -0.114912 -0.028688
9 0.002827 -0.000848 -0.018025 0.000000 -0.028688 0.019810
10 0.000848 0.000000 0.000422 0.000000 0.000839 0.000743
11 0.018025 0.000422 0.026380 0.000000 0.031722 0.028093
12 0.000000 0.000000 0.000000 0.010185 0.000000 0.000000
13 -0.028688 -0.000839 -0.031722 0.000000 -0.030955 -0.036433
14 0.019810 -0.000743 -0.028093 0.000000 -0.036433 -0.022079
15 0.041717 0.000000 0.001843 0.000000 0.001344 0.004024
16 0.258363 0.001843 0.061276 0.000000 0.028565 0.085498
17 0.000000 0.000000 0.000000 0.025662 0.000000 0.000000
18 -0.269513 -0.001344 -0.028565 0.000000 0.010958 -0.044008
19 -0.023834 -0.004024 -0.085498 0.000000 -0.044008 -0.106056
20 0.000000 0.000001 0.037989 0.000000 -0.012585 0.061711
21 -0.000000 0.037989 0.367296 0.000000 -0.077889 0.381945
22 0.000000 0.000000 0.000000 0.215078 0.000000 0.000000
23 0.000000 0.012585 0.077889 0.000000 0.193390 0.106348
24 1.000000 -0.061711 -0.381945 0.000000 0.106348 -0.306418
25 -0.061711 1.000000 0.248362 0.000000 0.000000 -0.000000
26 -0.381945 0.248362 1.000000 0.000000 -0.000000 0.000000
27 0.000000 0.000000 0.000000 1.000000 0.000000 0.000000
28 0.106348 0.000000 -0.000000 0.000000 1.000000 0.000000
29 -0.306418 -0.000000 0.000000 0.000000 0.000000 1.000000
30 -0.001053 0.000092 0.006449 0.000000 0.010683 0.000421
31 0.003797 0.000012 0.001846 0.000000 0.002486 0.002202
32 0.147090 0.005292 0.095605 0.000000 -0.075450 0.097921
33 -0.119638 0.060884 0.485198 0.000000 -0.347255 -0.307646
34 0.002650 0.000000 0.000002 0.000000 0.000001 0.000008
35 0.067591 0.000002 0.001527 0.000000 0.000363 0.003017
36 0.000000 0.000000 0.000000 0.000508 0.000000 0.000000
37 -0.032504 -0.000001 -0.000363 0.000000 0.000419 -0.000738
38 -0.088509 -0.000008 -0.003017 0.000000 -0.000738 -0.005619
39 0.000011 0.000000 0.000000 0.000000 0.000000 0.000000
40 0.003319 0.000000 0.000032 0.000000 0.000022 0.000075
41 0.000000 0.000000 0.000000 0.000010 0.000000 0.000000
42 -0.003012 -0.000000 -0.000022 0.000000 -0.000006 -0.000054
43 -0.005364 -0.000000 -0.000075 0.000000 -0.000054 -0.000170
44 0.047784 0.000005 0.001035 0.000000 -0.000289 0.001909
45 0.000348 0.000000 0.000002 0.000000 0.000001 0.000005
46 0.001221 0.000000 0.000039 0.000000 0.000043 0.000077
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