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