! File created by the GAMESS Input Deck Generator Plugin for Avogadro $CONTRL SCFTYP=ROHF RUNTYP=OPTIMIZE MULT=1 DFTTYP=B3LYP nzvar=1 maxit=60 icharg=+1 $END $basis gbasis=n31 ngauss=6 ndfunc=1 $end $SYSTEM TIMLIM=525600 mwords=140 $END $STATPT NSTEP=100 npun=-2 nprt=-2 $END $SCF DIRSCF=.TRUE. FDIFF=.F. $END $ZMAT IFZMAT(1)= 1, 1,7, 2,1,7,5, 3,1,7,5,4 fvalue(1)=2.12, 110.2, -85.5 dlc=.t. auto=.t. $END $DATA with Zn C1 ZN 30.0 -6.7420000000 -1.7630000000 15.3470000000 F 9.0 -4.0140000000 0.3510000000 14.5360000000 C 6.0 -4.5860000000 1.5920000000 14.6030000000 C 6.0 -5.4380000000 2.0160000000 15.6220000000 S 16.0 -5.8670000000 0.8760000000 16.9320000000 O 8.0 -5.3930000000 1.1610000000 18.3190000000 N 7.0 -5.3050000000 -0.7640000000 16.5360000000 O 8.0 -7.4160000000 0.9550000000 16.8940000000 C 6.0 -6.0320000000 3.2900000000 15.5680000000 F 9.0 -6.8400000000 3.7000000000 16.5520000000 C 6.0 -5.7290000000 4.1660000000 14.5340000000 F 9.0 -6.2850000000 5.3960000000 14.6220000000 C 6.0 -4.2940000000 2.4980000000 13.5790000000 F 9.0 -3.4690000000 2.1010000000 12.6010000000 C 6.0 -4.8440000000 3.7560000000 13.5200000000 S 16.0 -4.2910000000 4.6870000000 12.0540000000 H 1.0 -4.4258800000 -0.7038500000 16.0222600000 H 1.0 -3.4325300000 3.9216200000 11.3281800000 $END