srDFT_G2/G09/Large_core/Molecules/vqz/NH2.inp

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2019-04-01 09:40:22 +02:00
#p ROCCSD(T) cc-pVQZ pop=full gfprint
G2
0,2
N
H,1,RBH
H,1,RBH,2,HBH
RBH=1.03128471
HBH=101.91770685