srDFT_G2/G09/Large_core/Molecules/avqz/NH3.xyz
2019-04-04 11:10:45 +02:00

10 lines
106 B
Plaintext

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