srDFT_G2/Ref/Molecules/g09/VDZ/NH2.inp

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2019-03-26 11:00:25 +01:00
#p ROCCSD(T) cc-pVDZ pop=full gfprint
G2
0,2
N
H,1,RBH
H,1,RBH,2,HBH
RBH=1.03128471
HBH=101.91770685