srDFT_G2/Ref/Molecules/g09/VDZ/NH3.inp
2019-03-26 11:00:25 +01:00

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#p ROCCSD(T) 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