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

TTMCu-NTst-+-SP

1 3
 C                 -2.23197752   -1.14458699   -0.24965624
 C                 -1.85868852   -1.93462799   -1.48868924
 C                 -1.11734252   -1.23832599    0.78046876
 C                 -2.36280552    0.30418501   -0.68939424
 C                 -2.52788352    0.79588301   -1.96793324
 H                 -2.64864152    0.31946601   -2.92817424
 C                 -2.61670652   -2.76245899   -2.28157124
 H                 -3.62257352   -3.13914999   -2.19010624
 C                 -1.11528052   -1.64934799    2.09320976
 H                 -1.88797252   -2.02773899    2.74330376
 N                  0.16752148   -1.47321399    2.50356476
 N                 -2.43228952    2.13540601   -1.83001124
 N                 -1.81297652   -3.04842499   -3.33920324
 N                 -2.18441152    1.36261201    0.15617776
 N                 -2.21566752    2.46972201   -0.53740824
 N                 -0.63115852   -2.44570099   -3.24011724
 N                 -0.66031852   -1.76530899   -2.11668924
 N                  0.15422848   -0.85527099    0.48284276
 N                  0.93881348   -1.00317699    1.52592476
 Cu                 0.87005748   -0.63322299   -1.43621824
 O                 -3.42042352   -1.73976199    0.24629676
 C                 -4.22779452   -0.91995199    1.10170076
 H                 -4.73023352   -0.12640899    0.53676076
 H                 -4.97609152   -1.59168399    1.52813676
 H                 -3.64343152   -0.46606999    1.90979076
 C                 -2.17661952   -3.72906099   -4.59401224
 H                 -1.24122852   -4.10225399   -5.01662524
 H                 -2.81113552   -4.57771999   -4.33314124
 C                 -2.17904652    3.10116401   -2.91054224
 H                 -3.00144352    3.04208101   -3.62718824
 H                 -2.18255452    4.08834901   -2.44425824
 C                  0.76186048   -1.81019399    3.81031076
 H                  1.58951948   -1.11211799    3.95058176
 H                 -0.00042152   -1.60750299    4.56434176
 C                 -2.88116352   -2.76627799   -5.52886924
 C                 -2.20036852   -1.64317399   -6.02185324
 C                 -4.21743452   -2.97403699   -5.88442824
 C                 -2.85332952   -0.74028299   -6.86151824
 H                 -1.16259752   -1.47751699   -5.74410224
 C                 -4.86934652   -2.07212199   -6.73116524
 H                 -4.74809852   -3.84203899   -5.50075524
 C                 -4.18974852   -0.95395999   -7.21837424
 H                 -2.31882652    0.12420001   -7.24601924
 H                 -5.90676852   -2.24315899   -7.00518224
 H                 -4.69611252   -0.25206199   -7.87534324
 C                  1.22606048   -3.24962699    3.85907576
 C                  0.50993948   -4.20089699    4.59367076
 C                  2.37389048   -3.63999899    3.15520976
 C                  0.93801248   -5.53120299    4.62957276
 H                 -0.37872152   -3.89927399    5.14279276
 C                  2.79988548   -4.96820999    3.18957276
 H                  2.92900048   -2.90296799    2.58105276
 C                  2.08233548   -5.91618599    3.92741976
 H                  0.37908248   -6.26326499    5.20605276
 H                  3.69499148   -5.26206899    2.64841976
 H                  2.41728348   -6.94946599    3.95682076
 C                 -0.84688252    2.76097901   -3.54954224
 C                 -0.79283152    2.13610901   -4.80061024
 C                  0.33758848    2.95766801   -2.82548824
 C                  0.43280048    1.71102201   -5.32487724
 H                 -1.71113752    1.96818001   -5.35841424
 C                  1.56112248    2.53561901   -3.34956824
 H                  0.29729248    3.42885901   -1.84641324
 C                  1.60955248    1.90545901   -4.59926524
 H                  0.46539448    1.22497001   -6.29629224
 H                  2.47568748    2.69522801   -2.78757424
 H                  2.56155848    1.56177901   -4.99090624
 N                  2.45747748    0.51160901   -1.06508724
 S                  3.37505248   -0.26638599   -2.19911924
 O                  2.31841648   -1.04202899   -2.98110224
 O                  4.29242048    0.57367901   -2.97642224
 C                  4.26221748   -1.40532699   -1.17302324
 C                  3.62872048   -2.58340099   -0.74782524
 C                  5.54471548   -1.06075399   -0.72917024
 C                  4.30506448   -3.42643399    0.12453776
 H                  2.63773148   -2.84152099   -1.10764224
 C                  6.19950948   -1.91934899    0.14813376
 H                  6.01922648   -0.14816599   -1.07428224
 C                  5.59127748   -3.10485999    0.59480576
 H                  3.82866448   -4.34542499    0.45145676
 H                  7.19803848   -1.66749199    0.49368076
 C                  6.28422848   -4.00470099    1.58309976
 H                  6.10173648   -5.06074799    1.35652376
 H                  7.36459148   -3.83136499    1.59640276
 H                  5.90568548   -3.81906099    2.59723476

-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

