srDFT_G2/G09/Small_core/Molecules/vqz/CH2_3B1.inp

12 lines
128 B
Plaintext
Raw Normal View History

2019-04-01 14:54:35 +02:00
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
G2
0,3
C
H,1,RCH
H,1,RCH,2,HCH
RCH=1.08097342
HCH=133.83742404