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

P-Cu-PhINTs-+-SP

1 1
 C                 -0.70852210   -1.12774449   -0.00927503
 C                 -0.25539410   -1.39771949   -1.42706703
 C                  0.32417090   -1.45623549    1.05308497
 C                 -1.03524610    0.35881851    0.04410297
 C                 -1.36273210    1.21302351   -0.99427903
 H                 -1.43749910    1.08235951   -2.06246403
 C                 -1.06605610   -1.73766949   -2.49182703
 H                 -2.09151410   -2.06408749   -2.54828003
 C                  0.11983590   -1.98310649    2.31255997
 H                 -0.75290310   -2.36874349    2.81483797
 N                  1.33675890   -1.93087649    2.90522697
 N                 -1.59014310    2.40068851   -0.39437203
 N                 -0.28976310   -1.54426249   -3.58393403
 N                 -1.08598610    1.06916251    1.20513397
 N                 -1.40902010    2.31008251    0.93995697
 N                  0.92522890   -1.10995549   -3.23755503
 N                  0.95516790   -1.02244849   -1.92748403
 N                  1.64273190   -1.12842949    0.95515797
 N                  2.25434590   -1.41344749    2.08079597
 Cu                 2.83820390   -0.67300049   -0.84287203
 O                 -1.85742410   -1.96499649    0.17764597
 C                 -2.91801010   -1.46860349    0.99751997
 H                 -3.46319310   -0.65369149    0.50536797
 H                 -3.59288310   -2.31650349    1.13958297
 H                 -2.56860410   -1.11777349    1.97455797
 C                 -0.69051410   -1.46340749   -4.99961903
 H                  0.09348890   -1.94223449   -5.58950003
 H                 -1.61445810   -2.03562249   -5.10028503
 C                 -1.87244510    3.69624951   -1.02880703
 H                 -2.50427110    3.49101351   -1.89627303
 H                 -2.44583010    4.27731951   -0.30435003
 C                  1.68537690   -2.25497949    4.29695397
 H                  1.70473790   -1.31751349    4.86038097
 H                  0.86080190   -2.86357449    4.67834997
 C                 -0.87314910   -0.00668949   -5.37676103
 C                  0.18413590    0.71188651   -5.94792303
 C                 -2.06691010    0.65747451   -5.06317103
 C                  0.05104790    2.07927651   -6.20267103
 H                  1.11400690    0.20216851   -6.18591303
 C                 -2.20000810    2.02539951   -5.31492603
 H                 -2.89137610    0.10327851   -4.62050603
 C                 -1.13949910    2.73887251   -5.88371403
 H                  0.87649690    2.62737351   -6.64863403
 H                 -3.13031310    2.53255451   -5.07338203
 H                 -1.24126510    3.80295851   -6.07811003
 C                  3.00669990   -2.98022449    4.41068697
 C                  3.24987790   -4.14188349    3.66516297
 C                  3.99005590   -2.50703749    5.28580097
 C                  4.46378790   -4.81663649    3.79181397
 H                  2.49576190   -4.50577849    2.97191897
 C                  5.20300090   -3.18943749    5.42109897
 H                  3.80598990   -1.60519149    5.86464197
 C                  5.44250790   -4.34335649    4.67254497
 H                  4.64873090   -5.70845049    3.19948397
 H                  5.96088690   -2.81193649    6.10228797
 H                  6.38893790   -4.86837249    4.76778097
 C                 -0.59799310    4.40752751   -1.42960103
 C                  0.08296890    4.03385551   -2.59616103
 C                 -0.05943210    5.40769951   -0.61021003
 C                  1.28656690    4.65472051   -2.93823403
 H                 -0.32735110    3.26025551   -3.24009403
 C                  1.14093090    6.03579651   -0.95780503
 H                 -0.58188910    5.69525351    0.29851897
 C                  1.81656390    5.65869451   -2.12069603
 H                  1.80392790    4.36434951   -3.84825803
 H                  1.54789890    6.81311151   -0.31700403
 H                  2.75206490    6.14161551   -2.38861103
 N                  4.11289290   -2.08595949   -1.92706003
 S                  4.72848490   -3.41472949   -0.95127403
 O                  3.56722190   -3.87916749   -0.17969203
 O                  5.43516190   -4.35988149   -1.83582803
 C                  5.91500690   -2.65711949    0.12346997
 C                  5.52386290   -2.29579749    1.41196697
 C                  7.22963290   -2.49424249   -0.32114003
 C                  6.48127090   -1.76389949    2.27000397
 H                  4.49961990   -2.42983049    1.73692197
 C                  8.16259290   -1.93416449    0.54683697
 H                  7.52024290   -2.80995849   -1.31712503
 C                  7.80315890   -1.55935149    1.85047697
 H                  6.19299090   -1.49667449    3.28024297
 H                  9.18679890   -1.79504049    0.21101197
 C                  8.79885790   -0.91672849    2.78204497
 H                  8.63042690    0.16745851    2.82616397
 H                  8.69460290   -1.30117849    3.80314697
 H                  9.82960090   -1.08134249    2.45238097
 C                  4.97533890   -1.68544649   -3.10679303
 C                  3.77873390   -2.53269749   -3.31137003
 H                  3.94023290   -3.58264649   -3.53851703
 H                  2.85822390   -2.10152649   -3.68420103
 H                  5.92597790   -2.21125249   -3.14634703
 C                  5.04267190   -0.24792849   -3.49314303
 C                  6.29812490    0.34830351   -3.66420103
 C                  3.88909190    0.51643251   -3.72582803
 C                  6.40373590    1.68235351   -4.06068003
 H                  7.19627390   -0.23459349   -3.47749703
 C                  3.99437990    1.85310151   -4.11129103
 H                  2.90601190    0.07547851   -3.60992403
 C                  5.25095290    2.44030451   -4.28261203
 H                  7.38529090    2.13124351   -4.18653203
 H                  3.09039490    2.43121251   -4.28335303
 H                  5.33133090    3.48106951   -4.58507503
 C                  2.82923890    3.87281851    4.37375897
 C                  2.83770590    3.82646451    2.97802697
 C                  2.13635690    2.79780751    2.34394697
 C                  1.43202790    1.82280651    3.05296497
 C                  1.43870890    1.88718351    4.44798397
 C                  2.13544690    2.90512751    5.10597897
 H                  3.37534990    4.66034051    4.88457297
 H                  3.38798490    4.56395851    2.40428397
 H                  0.87479490    1.05223051    2.53797097
 H                  0.89092090    1.14099151    5.01695597
 H                  2.13653090    2.94611151    6.19159297
 I                  2.20116590    2.70641151    0.22261997
 N                  3.52128190    1.18891451   -0.13843003
 S                  5.12438390    1.62945651    0.01685997
 O                  5.85431590    0.43450351   -0.44627003
 O                  5.44865790    2.93585551   -0.59632403
 C                  5.40772890    1.81204551    1.78136597
 C                  4.79185190    0.93438651    2.67822697
 C                  6.28375790    2.79876551    2.23410397
 C                  5.06110890    1.05535151    4.03748397
 H                  4.10228990    0.17786451    2.32286497
 C                  6.54470490    2.90450151    3.60238197
 H                  6.74522490    3.48046551    1.52730397
 C                  5.94055990    2.03699951    4.52266297
 H                  4.57835890    0.37539151    4.73445097
 H                  7.22309690    3.67582451    3.95784897
 C                  6.19618690    2.15923551    6.00416897
 H                  6.50940390    1.19924551    6.43255497
 H                  6.97308490    2.89900551    6.22137797
 H                  5.28305590    2.46350751    6.53250397

-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





