srDFT_G2/G09/Small_core/Molecules/vqz/LiH.inp

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2019-04-01 14:54:35 +02:00
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVQZ pop=full gfprint
G2
0,1
Li
H,1,R
R=1.61452972