12 lines
128 B
Plaintext
12 lines
128 B
Plaintext
#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
|