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

I5-Cl-t-2-SP

0 3
 C                 -1.70000004   -1.81802599    0.02379925
 C                 -1.30846604   -2.62395499   -1.19540975
 C                 -0.54311704   -1.75444399    1.00060625
 C                 -2.03219204   -0.42183599   -0.47542275
 C                 -2.40216304   -0.03162199   -1.74825975
 H                 -2.53790004   -0.57063099   -2.67336775
 C                 -2.07065804   -3.46617299   -1.96966575
 H                 -3.06687704   -3.86128099   -1.85454475
 C                 -0.40705704   -2.23074199    2.28447525
 H                 -1.07993204   -2.75016399    2.94780525
 N                  0.86171396   -1.89676199    2.63684625
 N                 -2.54717804    1.30754201   -1.65980575
 N                 -1.28855304   -3.72771599   -3.04987275
 N                 -1.96988404    0.69137301    0.31190425
 N                 -2.27528804    1.73906001   -0.40731575
 N                 -0.11712604   -3.09573999   -2.97223475
 N                 -0.12919104   -2.42684899   -1.84761075
 N                  0.64142496   -1.18228099    0.65495425
 N                  1.49590696   -1.26638699    1.64814725
 Cu                 1.46814696   -1.17359499   -1.28697375
 O                 -2.80085104   -2.51119399    0.60336725
 C                 -3.64223004   -1.74954399    1.47499125
 H                 -4.24314004   -1.02026699    0.91881225
 H                 -4.30583104   -2.47615099    1.94984725
 H                 -3.07068304   -1.22189599    2.24734125
 C                 -1.69165804   -4.32746199   -4.32935075
 H                 -0.76542004   -4.61353499   -4.83308175
 H                 -2.27174304   -5.22628799   -4.11263575
 C                 -2.77671104    2.26186801   -2.74314075
 H                 -3.67457904    1.95629301   -3.28666975
 H                 -2.98442404    3.21829101   -2.25434075
 C                  1.58231296   -2.21206999    3.87152425
 H                  1.96250596   -1.27205899    4.28047725
 H                  0.83626496   -2.60183199    4.56990825
 C                 -2.48961204   -3.32111599   -5.13904775
 C                 -1.94100204   -2.06105499   -5.42280175
 C                 -3.78167404   -3.62331499   -5.58025775
 C                 -2.68187704   -1.11472999   -6.13135675
 H                 -0.93455004   -1.82129199   -5.09365075
 C                 -4.52031304   -2.67800799   -6.29970875
 H                 -4.21317504   -4.59657899   -5.35876875
 C                 -3.97444704   -1.42140399   -6.57119975
 H                 -2.24484404   -0.14212999   -6.34038475
 H                 -5.52353604   -2.92277299   -6.63820975
 H                 -4.55150504   -0.68422699   -7.12330575
 C                  2.71433896   -3.20420699    3.66002325
 C                  3.69131896   -3.31413599    4.65860425
 C                  2.80592196   -4.00960299    2.51969325
 C                  4.74349196   -4.22116599    4.52170825
 H                  3.63189896   -2.68166199    5.54169225
 C                  3.86263196   -4.91312199    2.38230225
 H                  2.08665896   -3.92181999    1.71229725
 C                  4.83352896   -5.02286899    3.37908425
 H                  5.49774896   -4.29330299    5.30107825
 H                  3.93197396   -5.51188299    1.47929225
 H                  5.66004196   -5.71860399    3.26293325
 C                 -1.58384904    2.36370401   -3.67695175
 C                 -1.79142904    2.57006801   -5.04613475
 C                 -0.27433604    2.28371301   -3.18467575
 C                 -0.70346304    2.71730001   -5.91147075
 H                 -2.80577404    2.61886901   -5.43540375
 C                  0.81166496    2.42232101   -4.05021275
 H                 -0.09197404    2.10769401   -2.12795875
 C                  0.60089796    2.64842201   -5.41380875
 H                 -0.87600104    2.88033301   -6.97201275
 H                  1.81784896    2.34888001   -3.64881675
 H                  1.44766796    2.76232501   -6.08533275
 N                  2.79852396   -2.13745599   -2.38391775
 S                  3.31757696   -3.51213099   -1.70502975
 O                  2.22931596   -3.98069999   -0.80953175
 O                  3.82051296   -4.46002299   -2.72932175
 C                  4.72103996   -3.15433499   -0.63154775
 C                  4.65092796   -2.06914699    0.24824325
 C                  5.81069096   -4.02458599   -0.59992875
 C                  5.67535796   -1.87088999    1.16928925
 H                  3.80790696   -1.38767099    0.22040625
 C                  6.82824196   -3.81492099    0.33321825
 H                  5.85454096   -4.85818099   -1.29293275
 C                  6.77196396   -2.74549999    1.23705125
 H                  5.61461896   -1.03295899    1.85956025
 H                  7.67406096   -4.49761999    0.36282925
 C                  7.83846296   -2.54968899    2.28580725
 H                  7.45449196   -2.82439899    3.27725725
 H                  8.72021396   -3.16743399    2.08648225
 H                  8.15791196   -1.50242799    2.34274325
 Cl                 2.55474996    0.85937401   -1.06943975
 C                  2.89803896   -0.82321599   -4.43633175
 C                  3.69809696   -1.45373699   -3.33504575
 H                  4.40090796   -2.18864699   -3.75241775
 H                  2.79974496    0.25855301   -4.43340475
 C                  2.22962296   -1.54841099   -5.45418475
 C                  2.26511996   -2.97334799   -5.53659075
 C                  1.49100396   -0.85310099   -6.45824475
 C                  1.60943196   -3.64147799   -6.56370875
 H                  2.78895196   -3.54001899   -4.77432075
 C                  0.84294296   -1.53351699   -7.47942675
 H                  1.43880096    0.23104701   -6.41004475
 C                  0.89474796   -2.93443399   -7.54297575
 H                  1.64971296   -4.72763399   -6.60407975
 H                  0.28467796   -0.97674699   -8.22802875
 H                  0.38120196   -3.46656299   -8.33896375
 H                  4.28486796   -0.68713399   -2.81760475

-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
****
-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

