srDFT_G2/G09/Large_core/Molecules/vqz/CH2_3B1.inp
2019-04-01 09:40:22 +02:00

12 lines
104 B
Plaintext

#p ROCCSD(T) cc-pVQZ pop=full gfprint
G2
0,3
C
H,1,RCH
H,1,RCH,2,HCH
RCH=1.08097342
HCH=133.83742404