! $CONTRL SCFTYP=RHF RUNTYP=HESSIAN $END $CONTRL SCFTYP=RHF RUNTYP=OPTIMIZE NZVAR=5 $END ! $CONTRL MPLEVL=2 SCFTYP=RHF $END ! $FORCE METHOD=ANALYTIC $END ! $BASIS GBASIS=N31 NGAUSS=6 NDFUNC=1 NPFUNC=1 $END ! $BASIS GBASIS=STO NGAUSS=3 $END $BASIS GBASIS=AM1 $END $DATA C2H2 (this is the title card) DNH 4 H 1.0 0.0000000000 0.0000000000 1.6498986849 C 6.0 0.0000000000 0.0000000000 0.5930253261 $END $ZMAT IZMAT(1)= 1,1,2, 1,1,3, 1,2,4, 5,1,2,4 5,2,1,3 $END $LIBE APTS(1) = 1.0,0.0,0.0,1.0,0.0,0.0 $END