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

Title Card Required

1 1
 C                 -0.92490845    1.63003661    0.00000000
 C                  0.15504655    1.23266661   -0.98811700
 C                 -0.37218145    1.54382261    1.41377100
 C                 -1.32580345    3.05679961   -0.32527200
 C                 -1.18635545    3.72883961   -1.52405200
 H                 -0.78823945    3.43978761   -2.48331900
 C                  0.13856555    0.33382161   -2.02926100
 H                 -0.60887245   -0.35460339   -2.38886200
 C                 -0.60969145    0.62275661    2.41128800
 H                 -1.27720745   -0.22097539    2.48552600
 N                  0.21635155    0.99780361    3.42010700
 N                 -1.63521845    4.97479561   -1.26620600
 N                  1.35859555    0.47126361   -2.61173200
 N                 -1.85782445    3.91918861    0.58800600
 N                 -2.04292345    5.08235261    0.01804200
 N                  2.09507655    1.39865761   -1.99564100
 N                  1.36343655    1.86480261   -1.01027700
 N                  0.58498855    2.40331861    1.86257000
 N                  0.94293955    2.07014361    3.08299200
 Cu                 2.03577855    3.14590461    0.40370000
 O                 -1.96322645    0.67171861   -0.18041300
 C                 -3.24157845    1.02034461    0.36021200
 H                 -3.71648145    1.82310961   -0.21603700
 H                 -3.84822045    0.11459661    0.28616600
 H                 -3.17507745    1.32825761    1.41030200
 C                  1.86638655   -0.14159439   -3.84102700
 H                  2.95146755   -0.20586139   -3.71832800
 H                  1.46919655   -1.15735839   -3.88897400
 C                 -1.66826345    6.13156661   -2.17084200
 H                 -2.54470945    6.04236561   -2.81934300
 H                 -1.80644045    7.00364161   -1.52609200
 C                  0.45792155    0.33600761    4.71566300
 H                  0.35937255    1.09938261    5.49079000
 H                 -0.33898745   -0.39904139    4.84194100
 C                  1.49688655    0.65303461   -5.08157200
 C                  1.53606655    2.05490561   -5.09136700
 C                  1.15173955   -0.03033539   -6.25332600
 C                  1.23454755    2.75860161   -6.25894900
 H                  1.79728255    2.60188261   -4.18988500
 C                  0.85792855    0.67480061   -7.42345800
 H                  1.11380955   -1.11718339   -6.25096000
 C                  0.89778855    2.07104361   -7.42851600
 H                  1.26286255    3.84420661   -6.24952800
 H                  0.59203455    0.13203461   -8.32657300
 H                  0.66482755    2.62070061   -8.33651200
 C                  1.82791055   -0.30675739    4.73675300
 C                  2.00539255   -1.61340239    4.26400800
 C                  2.94307155    0.42994661    5.15744700
 C                  3.28298655   -2.17562439    4.20807600
 H                  1.14250755   -2.18973739    3.93835700
 C                  4.22069355   -0.13195939    5.10186300
 H                  2.80922255    1.44573361    5.51907100
 C                  4.39269455   -1.43443939    4.62392100
 H                  3.41137855   -3.18988339    3.84028000
 H                  5.07941355    0.44521361    5.43407700
 H                  5.38644855   -1.87145739    4.57939100
 C                 -0.39797545    6.22949261   -2.98922000
 C                 -0.46345345    6.26495161   -4.38598100
 C                  0.85508255    6.27647161   -2.35848700
 C                  0.70638855    6.35363861   -5.14794600
 H                 -1.43101945    6.22333161   -4.88009200
 C                  2.02208955    6.35843761   -3.11834300
 H                  0.92667055    6.24252161   -1.27420700
 C                  1.95088455    6.39485961   -4.51558700
 H                  0.64202155    6.38600161   -6.23232300
 H                  2.97979655    6.39707261   -2.61108300
 H                  2.86155455    6.45845361   -5.10521800
 N                  3.56944755    4.11896161    1.26148300
 I                  4.79184655    2.79915961    2.27239900
 S                  4.40472155    5.24925061    0.33705000
 C                  4.49652655    1.08508361    1.06215400
 O                  3.30664255    6.10304161   -0.16408100
 O                  5.50622655    5.86372361    1.10124900
 C                  5.13614855    4.40108061   -1.06074800
 C                  5.23848055    0.93294561   -0.11186600
 C                  3.50704655    0.17870661    1.45424900
 C                  4.30242955    3.84768761   -2.03811700
 C                  6.52254155    4.26168561   -1.13644000
 C                  4.96528355   -0.17273639   -0.92020400
 H                  5.99533455    1.65389361   -0.39808800
 C                  3.25390455   -0.91883939    0.62943000
 H                  2.94876955    0.32249361    2.37035500
 C                  4.86999055    3.14552561   -3.09606700
 H                  3.22710555    3.96177161   -1.96929500
 C                  7.07550455    3.55402961   -2.20597600
 H                  7.15515155    4.70169161   -0.37325700
 C                  3.97788855   -1.09213939   -0.55340000
 H                  5.52684855   -0.30983739   -1.83957700
 H                  2.49007755   -1.63381839    0.91969700
 C                  6.26227355    2.98639161   -3.19781900
 H                  4.22180255    2.71112461   -3.85230800
 H                  8.15491555    3.44439061   -2.26980400
 H                  3.77329855   -1.94770239   -1.19071900
 C                  6.85692255    2.23035361   -4.35954000
 H                  6.79571955    2.82287661   -5.28185700
 H                  7.91047355    1.98923261   -4.18734500
 H                  6.31419455    1.29550461   -4.54341000

-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 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        



