14 lines
173 B
Plaintext
14 lines
173 B
Plaintext
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVDZ pop=full gfprint
|
|
|
|
G2
|
|
|
|
0,1
|
|
N
|
|
X,1,1.
|
|
H,1,RNH,2,XNH
|
|
H,1,RNH,2,XNH,3,120.,0
|
|
H,1,RNH,2,XNH,3,240.,0
|
|
|
|
RNH=1.01719433
|
|
XNH=113.26166981
|