10 lines
97 B
Plaintext
10 lines
97 B
Plaintext
|
#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVQZ pop=full gfprint
|
||
|
|
|
||
|
|
G2
|
||
|
|
|
||
|
|
0,3
|
||
|
|
O
|
||
|
|
O,1,r
|
||
|
|
|
||
|
|
r=1.20639068
|