%mem=32000MB
%nprocshared=14
#p opt freq b3lyp/gen pseudo=cards scrf=(smd,solvent=1,4-dioxane) nosymm cphf=conver=7 empiricaldispersion=gd3 int=(acc2e=11,grid=ultrafine)

Title

0 1
 Cu                -0.13674978   -0.12994197   -2.86559399
 N                  1.53881318    1.39537410   -0.95009583
 N                  1.91167155   -0.70036550   -0.85313133
 C                  0.56655538   -2.36707959    1.10122582
 H                  1.01972473   -1.49405000    1.27917651
 C                  1.12588876    0.21096229   -1.48067562
 C                  2.55230596    1.21151249   -0.01742711
 H                  2.98968595    1.88860214    0.48411018
 C                  2.79427669   -0.11212120    0.03864852
 H                  3.43966412   -0.55237439    0.57862313
 C                  1.82638748   -2.11779462   -1.11969501
 C                  1.17452221   -2.92816044   -0.17816028
 C                  0.83199036   -3.25599629    2.30878027
 H                  0.53259510   -2.79822538    3.12325069
 H                  1.79213596   -3.44179647    2.37202497
 H                  0.34004520   -4.09710422    2.20909154
 C                  1.06170874   -4.28096480   -0.49200304
 H                  0.62956082   -4.86642442    0.11863160
 C                  1.56547091   -4.78462738   -1.67236282
 H                  1.46926846   -5.70983856   -1.86803012
 C                  2.21001582   -3.95940803   -2.57628007
 H                  2.54808447   -4.32411124   -3.38463312
 C                  2.37085145   -2.59513919   -2.31392077
 C                  3.16248242   -1.70163550   -3.26452376
 H                  2.98803494   -0.75205403   -3.00308569
 C                  2.74107843   -1.86496347   -4.70995642
 H                  2.86871265   -2.79754674   -4.98452197
 H                  3.28485276   -1.28087726   -5.27677007
 H                  1.79520299   -1.62398975   -4.80376160
 C                  4.66201964   -1.96319786   -3.09454852
 H                  4.86280387   -2.88930930   -3.34603505
 H                  4.91395770   -1.81710338   -2.15874809
 H                  5.16636984   -1.35056744   -3.66941616
 C                  1.00348769    2.68160655   -1.31438084
 C                  1.67715013    3.43878225   -2.29036488
 C                  1.13735423    4.67917339   -2.62312784
 H                  1.55684310    5.20908081   -3.29126215
 C                 -0.00459366    5.15139946   -1.99341557
 H                 -0.35065427    6.00639437   -2.22292329
 C                 -0.64129621    4.38850891   -1.03666634
 H                 -1.42097610    4.72732526   -0.61316786
 C                 -0.15959085    3.12751309   -0.67902695
 C                 -0.92392420    2.25835867    0.31109266
 H                 -0.31532873    1.52626765    0.61799400
 C                 -1.39479479    3.03035093    1.53900978
 H                 -0.62250674    3.43974404    1.98276419
 H                 -1.84124174    2.41735749    2.15837866
 H                 -2.02275722    3.73059118    1.26453467
 C                 -2.12966497    1.61738283   -0.38408897
 H                 -2.71795632    2.32012397   -0.73365630
 H                 -2.62370043    1.06841196    0.25947277
 H                 -1.81900098    1.05453520   -1.12288153
 C                  2.92095689    2.92020679   -2.99479838
 H                  3.34883542    2.23936149   -2.40053552
 C                  3.93690635    4.03701042   -3.23880601
 H                  3.57237644    4.67303192   -3.88831775
 H                  4.76736457    3.65193614   -3.58859651
 H                  4.12089172    4.50120283   -2.39459764
 C                  2.54710705    2.23059732   -4.30923857
 H                  1.93267743    1.48968241   -4.12528977
 H                  3.35673281    1.88371929   -4.73789399
 H                  2.11207126    2.87652173   -4.90568672
 C                 -0.90049175   -2.06828305    0.92470682
 H                 -1.02029038   -1.44741326    0.17644278
 H                 -1.25248222   -1.66218391    1.74427544
 H                 -1.38262188   -2.90026144    0.73915333
 I                 -1.84923353   -0.59783123   -4.62584370

C N Cu H 0
TZVP
****
I 0
Def2SVP
S   1   1.00
    0.45123635492E-01      1.0000000
P   1   1.00
    0.29795507230E-01      1.0000000
D   1   1.00
    0.77987255180E-01      1.0000000
****

I     0
I-ECP     3     28
f-ul potential
  4
2     19.45860900           -21.84204000       
2     19.34926000           -28.46819100       
2      4.82376700            -0.24371300       
2      4.88431500            -0.32080400       
s-ul potential
  7
2     40.01583500            49.99429300       
2     17.42974700           281.02531700       
2      9.00548400            61.57332600       
2     19.45860900            21.84204000       
2     19.34926000            28.46819100       
2      4.82376700             0.24371300       
2      4.88431500             0.32080400       
p-ul potential
  8
2     15.35546600            67.44284100       
2     14.97183300           134.88113700       
2      8.96016400            14.67505100       
2      8.25909600            29.37566600       
2     19.45860900            21.84204000       
2     19.34926000            28.46819100       
2      4.82376700             0.24371300       
2      4.88431500             0.32080400       
d-ul potential
  10
2     15.06890800            35.43952900       
2     14.55532200            53.17605700       
2      6.71864700             9.06719500       
2      6.45639300            13.20693700       
2      1.19177900             0.08933500       
2      1.29115700             0.05238000       
2     19.45860900            21.84204000       
2     19.34926000            28.46819100       
2      4.82376700             0.24371300       
2      4.88431500             0.32080400       




