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# b3lyp/sto-3g BOMD=(MaxPoints=35, Ntraj=1, Update=15, RTemp=298)
divinylbenzene Born-Oppenheimer molecular dynamics
0 1
C,0,-0.075814703,0.,0.0269380583
C,0,-0.0045596398,0.,1.4463041796
C,0,1.2336805037,0.,2.1042190086
C,0,2.457241559,0.,1.3787842111
C,0,2.3859864958,0.,-0.0405819102
H,0,-0.9288538077,0.,2.0382912867
H,0,1.265233515,0.,3.2024280981
H,0,3.3102806637,0.,-0.6325690173
C,0,3.7520425889,0.,2.1313241979
C,0,4.9872240436,0.,1.600868666
H,0,5.1663339096,0.,0.5196128924
H,0,3.6421497516,0.,3.2262297951
H,0,5.8793431704,0.,2.2379242812
C,0,-1.3706157329,0.,-0.7256019285
H,0,-1.2607228956,0.,-1.8205075257
C,0,-2.6057971877,0.,-0.1951463967
H,0,-2.7849070536,0.,0.886109377
H,0,-3.4979163144,0.,-0.8322020118
C,0,1.1477463523,0.,-0.6984967392
H,0,1.116193341,0.,-1.7967058287
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