$CONTRL SCFTYP=ROHF RUNTYP=OPTIMIZE ecp=read
 MAXIT=120 DFTTYP=B3LYP UNITS=ANGS icharg=0 mult=2 $END
 $SYSTEM TIMLIM=99999 MEMORY=8000000 $END
 $STATPT HESS=GUESS METHOD=QA OPTTOL=0.00001 NSTEP=999 $end
! $basis gbasis=n311 ngauss=6 $end
 $ecp 
c none
c
c
c
c
c
c
c
c
c
c
c
c
c
c
o none
o
h none
h
h
h
h
h
h
h
h
h
h
h
h
h
h
h
cu sbkjc
 $END
 $DATA
dvd                                                                             
C1       0
H    1    0.472000   1.629000   1.018000
 N311 6

H    1    2.495000   1.808000   2.439000
 N311 6

H    1    2.313000  -1.584000  -1.156000
 N311 6

H    1    4.300000  -1.410000   0.265000
 N311 6

H    1   -0.968000  -1.267000  -2.611000
 N311 6

H    1   -0.006000  -2.193000  -1.460000
 N311 6

H    1    0.793000  -1.250000  -2.731000
 N311 6

H    1    0.955000   1.250000  -2.569000
 N311 6

H    1   -0.037000   2.160000  -1.432000
 N311 6

H    1   -0.801000   1.233000  -2.735000
 N311 6

H    1    5.326000  -0.260000   2.077000
 N311 6

H    1   -5.461000   0.182000   1.935000
 N311 6

C    6   -2.397000   0.785000  -0.434000
 N311 6

C    6   -1.303000  -0.065000  -0.231000
 N311 6

C    6   -1.413000  -1.032000   0.787000
 N311 6

C    6   -3.557000   0.680000   0.343000
 N311 6

C    6   -3.638000  -0.290000   1.340000
 N311 6

C    6   -2.560000  -1.150000   1.565000
 N311 6

C    6    1.311000   0.970000   0.836000
 N311 6

C    6    2.436000   1.077000   1.645000
 N311 6

C    6    3.519000   0.220000   1.438000
 N311 6

C    6    1.227000   0.016000  -0.197000
 N311 6

C    6    2.326000  -0.832000  -0.381000
 N311 6

C    6    3.466000  -0.737000   0.428000
 N311 6

C    6   -0.026000  -0.019000  -1.102000
 N311 6

C    6   -0.045000  -1.264000  -2.030000
 N311 6

C    6    0.017000   1.238000  -2.013000
 N311 6

O    8   -4.761000  -0.455000   2.153000
 N311 6

O    8    4.620000   0.374000   2.284000
 N311 6

H    1   -2.363000   1.547000  -1.198000
 N311 6

H    1   -0.579000  -1.693000   0.984000
 N311 6

H    1   -4.388000   1.354000   0.166000
 N311 6

H    1   -2.639000  -1.891000   2.347000
 N311 6

  Cu 29.0  -4.727  -1.222   3.302
   sbkjc

 $END