srDFT_G2/G09/Small_core/Molecules/vtz/ClF.inp
2019-03-28 00:25:00 +01:00

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#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVTZ pop=full gfprint
G2
0,1
F
Cl,1,R1
R1=1.64275079