srDFT_G2/Ref/Molecules/g09/VTZ/NH3.inp

14 lines
149 B
Plaintext
Raw Normal View History

2019-03-26 11:00:25 +01:00
#p ROCCSD(T) cc-pVTZ 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