srDFT_G2/G09/Molecules/vdz/small_core/NH3.xyz
2019-03-29 16:37:51 +01:00

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