srDFT_G2/G09/Mixed_core/Molecules/vtz/CH2_1A1.inp
2019-04-01 12:09:35 +02:00

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100 B
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#p ROCCSD(T) cc-pVTZ pop=full gfprint
G2
0,1
C
H,1,CH
H,1,CH,2,HCH
CH=1.11792921
HCH=99.85526193