srDFT_G2/G09/Small_core/Molecules/avdz/Li2.inp
2019-04-05 20:48:30 +02:00

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#p ROCCSD(T,FreezeInnerNobleGasCore) aug-cc-pVDZ pop=full gfprint
G2
0,1
Li
Li,1,R
R=2.72127987