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

PhINTs-CuCl-a-SP

0 1
 C                  0.13131313   -0.99965731    0.02617685
 C                  1.34263913   -1.28295531   -0.83195115
 C                  0.54912513   -0.87950931    1.47889585
 C                 -0.50333887    0.27647569   -0.48422015
 C                 -0.50686087    0.76278369   -1.77748415
 H                 -0.04154587    0.42242769   -2.68885715
 C                  1.49872713   -2.17128231   -1.86968115
 H                  0.84844113   -2.91524131   -2.29976115
 C                  0.32551913   -1.75347231    2.52067185
 H                 -0.22987387   -2.67453731    2.59630585
 N                  0.97358313   -1.19616831    3.57402385
 N                 -1.24171287    1.89270969   -1.70967015
 N                  2.75449313   -1.93015531   -2.32691615
 N                 -1.23375387    1.12436869    0.29378885
 N                 -1.67906987    2.10571669   -0.44767215
 N                  3.34443213   -0.94703631   -1.63517815
 N                  2.48761013   -0.55138231   -0.72678115
 N                  1.32877413    0.13674169    1.94569185
 N                  1.58593213   -0.05669731    3.21952785
 Cu                 2.77534313    1.15810569    0.59651385
 O                 -0.70999087   -2.14785231   -0.13497115
 C                 -2.08078287   -1.98066231    0.23361185
 H                 -2.61797787   -1.34795431   -0.48317315
 H                 -2.51352287   -2.98422031    0.22174785
 H                 -2.19233387   -1.55157631    1.23642685
 C                  3.39012313   -2.42886431   -3.54172815
 H                  4.45849113   -2.22764431   -3.42305815
 H                  3.24989813   -3.51151031   -3.58236815
 C                 -1.60422087    2.81599269   -2.78863715
 H                 -2.38739787    2.34931169   -3.39418515
 H                 -2.03949087    3.68611669   -2.28843815
 C                  1.16670613   -1.74509031    4.92416985
 H                  1.00426813   -0.93122831    5.63349185
 H                  0.38523813   -2.49492531    5.06701685
 C                  2.83528613   -1.74999531   -4.78214115
 C                  2.36620113   -0.42998331   -4.73871715
 C                  2.82964613   -2.43978731   -6.00019115
 C                  1.89381413    0.18741769   -5.89867615
 H                  2.37968913    0.12551869   -3.80578315
 C                  2.36640313   -1.81806831   -7.16273115
 H                  3.18649513   -3.46654031   -6.03866715
 C                  1.89494313   -0.50346631   -7.11359115
 H                  1.53370713    1.21056769   -5.85141715
 H                  2.36647313   -2.36387531   -8.10255315
 H                  1.52853413   -0.02072931   -8.01570115
 C                  2.55203013   -2.33935631    5.07126585
 C                  2.88234913   -3.52439531    4.40061385
 C                  3.53217313   -1.67764131    5.81860185
 C                  4.17879613   -4.03884931    4.47110585
 H                  2.12503913   -4.03973731    3.81465885
 C                  4.82791613   -2.19609331    5.90024685
 H                  3.28333313   -0.75178031    6.33031085
 C                  5.15479113   -3.37435931    5.22333285
 H                  4.42713413   -4.95377731    3.94031885
 H                  5.58207013   -1.67479631    6.48317285
 H                  6.16372513   -3.77353031    5.27936485
 C                 -0.42237987    3.21090269   -3.65114915
 C                 -0.57621887    3.30318669   -5.03962615
 C                  0.81404513    3.52940469   -3.07346315
 C                  0.48741613    3.72493469   -5.84323915
 H                 -1.53099687    3.04922569   -5.49440815
 C                  1.87726413    3.94343669   -3.87758115
 H                  0.95705313    3.45159769   -1.99853615
 C                  1.71847713    4.04433969   -5.26379715
 H                  0.35513313    3.79455469   -6.91978815
 H                  2.82729113    4.19512969   -3.41426215
 H                  2.54822413    4.36746269   -5.88690215
 N                  4.72950513    0.62919369    1.35905485
 I                  4.94774313   -1.13618431    2.32823785
 S                  6.14291313    1.26577069    0.69612885
 C                  4.80492513   -2.65623431    0.85098385
 O                  6.08421813    2.71450069    0.96399685
 O                  7.35233113    0.51904569    1.11281385
 C                  5.98512413    1.06345469   -1.08136515
 C                  5.92126713   -2.94642231    0.06212385
 C                  3.59842413   -3.34734931    0.71861685
 C                  5.08670613    1.86825769   -1.78555915
 C                  6.75970613    0.10660369   -1.73939915
 C                  5.81583213   -3.95994231   -0.89292215
 H                  6.84579913   -2.39395231    0.18813585
 C                  3.51735713   -4.36766231   -0.23195215
 H                  2.74027513   -3.09132131    1.33082985
 C                  4.97160213    1.70521969   -3.16582615
 H                  4.47467713    2.59639969   -1.26048815
 C                  6.63208313   -0.04065931   -3.12003215
 H                  7.45959813   -0.50276231   -1.17872915
 C                  4.62024913   -4.67114531   -1.03558815
 H                  6.67194813   -4.19620931   -1.51841515
 H                  2.58577713   -4.91335531   -0.35059515
 C                  5.74220813    0.75793269   -3.85577115
 H                  4.26717513    2.32300969   -3.71537015
 H                  7.24130113   -0.77933931   -3.63643415
 H                  4.54854113   -5.46392031   -1.77490115
 C                  5.63746313    0.60421969   -5.35369915
 H                  4.82037613    1.20477769   -5.76311815
 H                  6.56799513    0.91899569   -5.84416215
 H                  5.45958213   -0.43976231   -5.63646615
 Cl                 2.29376813    3.40930469    0.27370885

-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
****
-I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308000              1.0000000
D   1   1.00
      0.2940000              1.0000000
****
-N -C -H -O -Cl -S -B 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
-I     0
I-ECP     3     46
f-ul potential
  5
0      1.0715702             -0.0747621
1     44.1936028            -30.0811224
2     12.9367609            -75.3722721
2      3.1956412            -22.0563758
2      0.8589806             -1.6979585
s-ul potential
  5
0    127.9202670              2.9380036
1     78.6211465             41.2471267
2     36.5146237            287.8680095
2      9.9065681            114.3758506
2      1.9420086             37.6547714
p-ul potential
  5
0     13.0035304              2.2222630
1     76.0331404             39.4090831
2     24.1961684            177.4075002
2      6.4053433             77.9889462
2      1.5851786             25.7547641
d-ul potential
  5
0     40.4278108              7.0524360
1     28.9084375             33.3041635
2     15.6268936            186.9453875
2      4.1442856             71.9688361
2      0.9377235              9.3630657





