10 lines
98 B
Plaintext
10 lines
98 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVDZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,1
|
|
Cl
|
|
H,1,R
|
|
|
|
R=1.28367324
|