10 lines
97 B
Plaintext
10 lines
97 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,2
|
|
O
|
|
H,1,ROH
|
|
|
|
ROH=0.97613331
|