%nprocshared=12
%mem=24GB
#p b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

Cu-+-P-s-SP

1 1
 C                 -1.37235047   -0.11074855   -0.02588596
 C                 -1.17471647   -1.03897555   -1.20778296
 C                 -0.32658547   -0.37206255    1.04490504
 C                 -1.26002447    1.30280745   -0.57025696
 C                 -1.52575547    1.73747745   -1.85584596
 H                 -1.82135747    1.22185145   -2.75571696
 C                 -2.10012147   -1.72367655   -1.96278796
 H                 -3.15886347   -1.89016855   -1.84942496
 C                 -0.48207647   -0.86576355    2.32091304
 H                 -1.35143147   -1.15136655    2.89091504
 N                  0.77862453   -0.94428155    2.81349004
 N                 -1.30085347    3.06685545   -1.81645696
 N                 -1.38272647   -2.21158655   -3.00694896
 N                 -0.89113347    2.38230545    0.17622004
 N                 -0.91620847    3.45130145   -0.57945996
 N                 -0.09589947   -1.85329955   -2.92843896
 N                  0.02895653   -1.14020155   -1.83427896
 N                  1.01065953   -0.19744855    0.83712804
 N                  1.68254653   -0.54831855    1.91474704
 Cu                 1.81078353   -0.19810255   -1.00023396
 O                 -2.66544647   -0.42289755    0.48823204
 C                 -3.29580147    0.58965545    1.27939404
 H                 -3.64936947    1.42146245    0.65843404
 H                 -4.15191447    0.10218945    1.75223404
 H                 -2.63000047    0.98481445    2.05549404
 C                 -1.88195147   -2.85013755   -4.23555396
 H                 -1.15986247   -3.61950355   -4.51404296
 H                 -2.82856947   -3.32965355   -3.97771696
 C                 -1.36543447    4.03014645   -2.92807896
 H                 -2.37405447    3.97797445   -3.34686196
 H                 -1.22345147    5.01281545   -2.47499396
 C                  1.22958853   -1.53374055    4.08587604
 H                  2.10190453   -0.95561755    4.39882704
 H                  0.42758253   -1.37995855    4.80970604
 C                 -2.04784247   -1.81487755   -5.32924896
 C                 -1.05591147   -1.65040055   -6.30307596
 C                 -3.16505047   -0.96858955   -5.33400396
 C                 -1.18424547   -0.65715755   -7.27780296
 H                 -0.18477247   -2.30057455   -6.29745196
 C                 -3.28985547    0.03019945   -6.30197696
 H                 -3.93837647   -1.09408755   -4.57948896
 C                 -2.29849247    0.18683445   -7.27679696
 H                 -0.41403847   -0.54164055   -8.03558496
 H                 -4.16175547    0.67878345   -6.30133596
 H                 -2.39612547    0.96081545   -8.03309296
 C                  1.55925653   -3.00218955    3.91580804
 C                  0.68380253   -3.98754455    4.38470104
 C                  2.73209253   -3.38388155    3.24869104
 C                  0.97606753   -5.34081255    4.19093804
 H                 -0.22526047   -3.69656655    4.90568504
 C                  3.02143953   -4.73401255    3.04943504
 H                  3.41549353   -2.62225655    2.88367704
 C                  2.14258253   -5.71552255    3.52023104
 H                  0.29218953   -6.09921555    4.56230404
 H                  3.93300653   -5.01968955    2.53135704
 H                  2.36943453   -6.76723355    3.36756904
 C                 -0.31705647    3.74274945   -3.98228396
 C                 -0.55282547    2.77999245   -4.97498596
 C                  0.91426853    4.40805445   -3.95271696
 C                  0.43218153    2.48418245   -5.91928796
 H                 -1.50981547    2.26468945   -5.01619496
 C                  1.89812153    4.11743645   -4.90081096
 H                  1.10589853    5.14695845   -3.17994096
 C                  1.66004053    3.15320645   -5.88365096
 H                  0.23792853    1.73344045   -6.67929096
 H                  2.85103853    4.63781645   -4.86423096
 H                  2.42620153    2.92486545   -6.61960796
 N                  3.17206853    0.00026045   -2.50808096
 S                  4.19497753   -1.41575255   -2.70009296
 O                  3.31059053   -2.57216555   -2.51999996
 O                  4.98130453   -1.27626655   -3.93481496
 C                  5.23719553   -1.18396055   -1.27802296
 C                  4.69024853   -1.36345555   -0.00083896
 C                  6.54312853   -0.72781055   -1.45848096
 C                  5.47193353   -1.05711755    1.10724304
 H                  3.67216153   -1.71828455    0.12673804
 C                  7.31401653   -0.44361155   -0.33092096
 H                  6.94515953   -0.59411355   -2.45699996
 C                  6.79165553   -0.59440255    0.96153104
 H                  5.05110353   -1.16977855    2.10267704
 H                  8.33369153   -0.09136655   -0.45951896
 C                  7.62011353   -0.27922855    2.18070004
 H                  7.06123153    0.35069545    2.88252304
 H                  7.88770453   -1.19911555    2.71676904
 H                  8.54755053    0.23781345    1.91671004
 C                  3.81188553    1.30395245   -2.92964096
 C                  2.72568753    0.70047845   -3.74195796
 H                  3.00202753    0.24911345   -4.69084096
 H                  1.71026653    1.07532045   -3.67502596
 H                  4.80442253    1.16964845   -3.35272596
 C                  3.69360153    2.46240645   -2.00528796
 C                  4.85846953    3.16491845   -1.66615796
 C                  2.46804253    2.86459145   -1.45520996
 C                  4.80155653    4.24953745   -0.78894396
 H                  5.81173453    2.85636745   -2.08818296
 C                  2.41158953    3.94289745   -0.57169196
 H                  1.55358953    2.33817945   -1.71698196
 C                  3.57749453    4.63995845   -0.24004996
 H                  5.71162053    4.78642545   -0.53564496
 H                  1.45306553    4.24172545   -0.16038196
 H                  3.53043253    5.48334645    0.44355804

-Cu 0
S   1   1.00
      8.1760000              1.0000000
S   1   1.00
      2.5680000              1.0000000
S   1   1.00
      0.9587000              1.0000000
S   1   1.00
      0.1153000              1.0000000
S   1   1.00
      0.0396000              1.0000000
P   1   1.00
     25.6300000              1.0000000
P   1   1.00
      3.1660000              1.0000000
P   1   1.00
      1.0230000              1.0000000
P   1   1.00
      0.0860000              1.0000000
P   1   1.00
      0.0240000              1.0000000
D   3   1.00
     41.3400000              0.0465424
     11.4200000              0.2227824
      3.8390000              0.4539059
D   1   1.00
      1.2300000              1.0000000
D   1   1.00
      0.3102000              1.0000000
****
-N -C -H -O -Cl -S 0
6-311++g**
****

-Cu 0
U-ECP     2     10
d-ul potential
  3
1    511.9951763            -10.0000000
2     93.2801074            -72.5548282
2     23.2206669            -12.7450231
s-ul potential
  4
0    173.1180854              3.0000000
1    185.2419886             23.8351825
2     73.1517847            473.8930488
2     14.6884157            157.6345823
p-ul potential
  4
0    100.7191369              5.0000000
1    130.8345665              6.4990936
2     53.8683720            351.4605395
2     14.0989469             85.5016036

