12 lines
124 B
Plaintext
12 lines
124 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,1
|
|
C
|
|
H,1,CH
|
|
H,1,CH,2,HCH
|
|
|
|
CH=1.11792921
|
|
HCH=99.85526193
|