! Minimize (Energy/Geometry) B3LYP/SBKJC
! $CONTRL EXETYP=check $END
 $CONTRL RUNTYP=OPTIMIZE NZVAR=126 ICHARG=3 MULT=5 NPRINT=-5  
  SCFTYP=UHF MAXIT=1000 ECP=SBKJC DFTTYP=B3LYP D5=.t. $END
 $ZMAT   DLC=.true. auto=.true. $END
 $SCF    NCONV=5 DAMP=.T. DIRSCF=.T. SHIFT=.T. SOSCF=.t. $END
 $BASIS GBASIS=SBKJC $END
 $STATPT NSTEP=500 OPTTOL=1d-4 METHOD=GDIIS HESS=GUESS $END 
 $GUESS GUESS=HUCKEL $END
 $SYSTEM MWORDS=50 $END
 $P2P p2p=.t. dlb=.t. $END
 $DATA
l1+Ho
C1
C           6.0   1.4234990000   4.2787000000  -0.4048990000
C           6.0   1.8055000000   3.5950000000  -1.5535000000
C           6.0   1.6373990000   2.2228990000  -1.6323000000
C           6.0   1.0638990000   1.5289000000  -0.5661000000
C           6.0   0.6784000000   2.2192000000   0.5844000000
C           6.0   0.8652000000   3.5889000000   0.6646000000
C           6.0   0.8947000000   0.0363000000  -0.6396000000
C           6.0   2.1306000000  -0.8151000000  -1.0410990000
C           6.0   3.2541990000  -0.7131000000   0.0029990000
C           6.0   4.5443000000  -0.3943000000  -0.4000000000
C           6.0   5.5680990000  -0.3312000000   0.5355990000
C           6.0   5.3041000000  -0.5926990000   1.8724000000
C           6.0   4.0131000000  -0.9157990000   2.2778990000
C           6.0   2.9923000000  -0.9737000000   1.3465990000
O           8.0   1.7319000000  -2.2069000000  -1.2155000000
N           7.0  -0.1748990000  -0.6407000000  -0.3786000000
N           7.0  -1.3746000000   0.0112000000   0.0124000000
C           6.0  -2.5228000000  -0.8249990000   0.0150990000
O           8.0  -2.3812000000  -2.0628990000  -0.1192000000
C           6.0  -3.8595000000  -0.1866990000   0.2288990000
C           6.0  -4.9909000000  -0.9772990000   0.0133000000
C           6.0  -6.2544000000  -0.4454000000   0.2025000000
C           6.0  -6.3912000000   0.8745990000   0.6170000000
C           6.0  -5.2655990000   1.6632990000   0.8445990000
C           6.0  -4.0017990000   1.1391990000   0.6510990000
H           1.0   1.5645000000   5.3526000000  -0.3422990000
H           1.0   2.2393000000   4.1328000000  -2.3880990000
H           1.0   1.9351000000   1.7009990000  -2.5331000000
H           1.0   0.2577990000   1.6835990000   1.4264990000
H           1.0   0.5769000000   4.1199000000   1.5637990000
H           1.0   2.4925990000  -0.4476000000  -2.0102000000
H           1.0   4.7549000000  -0.1897990000  -1.4431000000
H           1.0   6.5728000000  -0.0784000000   0.2178000000
H           1.0   6.1037990000  -0.5430990000   2.6030990000
H           1.0   3.8066000000  -1.1162000000   3.3222990000
H           1.0   1.9864000000  -1.2115000000   1.6708990000
H           1.0  -1.4757000000   1.0010990000  -0.2467000000
H           1.0  -4.8690990000  -2.0057990000  -0.3062000000
H           1.0  -7.1318990000  -1.0566000000   0.0303000000
H           1.0  -7.3812000000   1.2933000000   0.7689990000
H           1.0  -5.3797000000   2.6877000000   1.1772990000
H           1.0  -3.1364990000   1.7582990000   0.8505000000
H           1.0   2.5465990000  -2.6822000000  -1.4831000000
Ho         67.0  -0.3377990000  -2.9847000000  -0.5677000000
 $END