srDFT_G2/G09/Small_core/Molecules/vdz/HCl.inp

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2019-03-28 00:25:00 +01:00
#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVDZ pop=full gfprint
G2
0,1
Cl
H,1,R
R=1.28367324