13 lines
137 B
Plaintext
13 lines
137 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,1
|
|
S
|
|
X,1,1.
|
|
H,1,R,2,A
|
|
H,1,R,2,A,3,180.,0
|
|
|
|
R=1.34531822
|
|
A=46.20925632
|