%nprocshared=24
%mem=124GB
#p b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

Title Card Required

0 3
 C                 -0.77072400    0.04745200   -0.02129600
 C                 -0.34234800   -0.71406000   -1.25499900
 C                  0.36038900    0.10146900    0.98438100
 C                 -1.15522400    1.43907200   -0.48622400
 C                 -1.62010100    1.81969400   -1.73025100
 H                 -1.78175700    1.28053500   -2.65102200
 C                 -1.03715400   -1.64242100   -1.99167000
 H                 -1.98113300   -2.13868000   -1.83631700
 C                  0.44758100   -0.42234100    2.25458800
 H                 -0.24864100   -0.96575700    2.87294900
 N                  1.69962400   -0.10033300    2.66617400
 N                 -1.82988400    3.14812700   -1.61766400
 N                 -0.27248400   -1.83623400   -3.09732800
 N                 -1.10594600    2.54560600    0.30952900
 N                 -1.50830400    3.58281200   -0.37798900
 N                  0.82845900   -1.07861900   -3.06850100
 N                  0.78612900   -0.39895800   -1.95005100
 N                  1.55357400    0.68755500    0.69680200
 N                  2.36690200    0.56663600    1.71799400
 Cu                 2.34424400    0.88300200   -1.34065300
 O                 -1.86547100   -0.69557100    0.51786800
 C                 -2.76110000    0.02367100    1.36906900
 H                 -3.38753200    0.72078000    0.79917600
 H                 -3.39718700   -0.73469900    1.83228900
 H                 -2.23334900    0.58103800    2.15150000
 C                 -0.66727000   -2.48898600   -4.34906100
 H                  0.25407800   -2.63050100   -4.91984200
 H                 -1.08652200   -3.46774700   -4.10627700
 C                 -2.20794000    4.09108700   -2.67089300
 H                 -3.18310500    3.79539200   -3.06759800
 H                 -2.32223700    5.05711800   -2.17094600
 C                  2.36278000   -0.43976700    3.92495900
 H                  2.80588400    0.47881700    4.31805300
 H                  1.57156000   -0.74923500    4.61409800
 C                 -1.66430000   -1.62518900   -5.10157200
 C                 -1.42078000   -0.25404700   -5.27495800
 C                 -2.83149900   -2.18476900   -5.62976400
 C                 -2.33375100    0.54283000   -5.96599900
 H                 -0.51297400    0.18929900   -4.87768100
 C                 -3.74314300   -1.38732300   -6.32973800
 H                 -3.03167300   -3.24458700   -5.49248900
 C                 -3.49839900   -0.02257200   -6.49617700
 H                 -2.12759900    1.60192100   -6.09381300
 H                 -4.64587000   -1.83394500   -6.73807300
 H                 -4.20995300    0.59796300   -7.03495700
 C                  3.41486800   -1.52431500    3.77344500
 C                  4.44452000   -1.59548300    4.72088400
 C                  3.37295800   -2.46062000    2.73503600
 C                  5.41333900   -2.59755900    4.63846000
 H                  4.49075800   -0.86015500    5.52130900
 C                  4.34604600   -3.45965100    2.65075700
 H                  2.61630300   -2.39358100    1.96020400
 C                  5.36639000   -3.53379400    3.60063800
 H                  6.21036900   -2.63884800    5.37668500
 H                  4.31612800   -4.16373200    1.82373400
 H                  6.12908900   -4.30403400    3.52552900
 C                 -1.16703400    4.15377400   -3.77252300
 C                 -1.56443100    4.24291100   -5.11175600
 C                  0.19808300    4.14235700   -3.45959200
 C                 -0.60768100    4.33327700   -6.12793600
 H                 -2.62322200    4.24250300   -5.36058500
 C                  1.15247600    4.23000700   -4.47306900
 H                  0.52896700    4.05031800   -2.42938800
 C                  0.75318100    4.32941700   -5.81020900
 H                 -0.92624200    4.40120500   -7.16470300
 H                  2.20541400    4.20989500   -4.20685600
 H                  1.49838600    4.39325900   -6.59896300
 N                  3.94297400   -0.18706500   -1.90119000
 S                  4.05720800   -1.74727100   -1.38235200
 O                  2.88145700   -2.02501600   -0.53046700
 O                  4.36940100   -2.71149200   -2.46585600
 C                  5.49557800   -1.66023900   -0.31390100
 C                  5.45591200   -0.76886400    0.76626000
 C                  6.62369200   -2.43812700   -0.56446900
 C                  6.55878200   -0.67402000    1.60431700
 H                  4.56877100   -0.17369100    0.95169200
 C                  7.72396800   -2.33069700    0.29181700
 H                  6.63787700   -3.11796800   -1.41029400
 C                  7.70842300   -1.45386900    1.38375900
 H                  6.52702500    0.00615300    2.45176200
 H                  8.60558000   -2.93902900    0.10552400
 C                  8.87852700   -1.35222300    2.32944500
 H                  8.58749800   -1.66830200    3.33966100
 H                  9.71571500   -1.97934400    2.00741800
 H                  9.23476500   -0.31764500    2.40858000
 Cl                 2.95950300    3.15333800   -1.41005500
 C                  3.79409300    0.79927100   -4.05435600
 C                  4.76072700    0.18977400   -3.07964000
 H                  5.22063100   -0.70208000   -3.51722800
 H                  3.56564100    1.84959100   -3.88789000
 C                  3.11207000    0.13022300   -5.09378500
 C                  3.25437400   -1.26467600   -5.35488400
 C                  2.22418200    0.87553600   -5.92580500
 C                  2.55573200   -1.86109100   -6.39473000
 H                  3.87556000   -1.87021900   -4.70408800
 C                  1.53417300    0.26785300   -6.96307300
 H                  2.08486600    1.93366200   -5.72580800
 C                  1.69376200   -1.10508000   -7.20588800
 H                  2.66892900   -2.92743700   -6.57440900
 H                  0.85554300    0.85367400   -7.57737000
 H                  1.14250500   -1.58459400   -8.00994800
 C                  5.85497300    1.17709800   -2.66731800
 H                  6.54882500    0.69928900   -1.96790600
 H                  6.41638800    1.51244500   -3.54878500
 H                  5.40695500    2.04714000   -2.17830900

-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





