srDFT_G2/G09/Molecules/vdz/small_core/CS.inp
2019-03-29 16:37:51 +01:00

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#p ROCCSD(T,FreezeInnerNobleGasCore) cc-pVDZ pop=full gfprint
G2
0,1
C
S,1,CS
CS=1.54093216