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

TS1-Cl-s-c-SP

0 1
 C                  0.17304190   -0.55555555    0.00000000
 C                  0.71982890   -1.30213155   -1.19499900
 C                  0.98254790   -0.89999655    1.23521700
 C                  0.27367490    0.92924745   -0.29436400
 C                  0.29556290    1.57314845   -1.51754300
 H                  0.32581990    1.21837345   -2.53590900
 C                  0.06045090   -1.88025055   -2.25556700
 H                 -0.98454410   -2.03605455   -2.46868800
 C                  0.60008390   -1.44136855    2.44040500
 H                 -0.35250110   -1.75792855    2.83327800
 N                  1.75230490   -1.53297255    3.15188600
 N                  0.30816190    2.88640345   -1.20335500
 N                  1.05591990   -2.26122755   -3.09743200
 N                  0.28498990    1.87638445    0.68770400
 N                  0.30653790    3.06154545    0.13638900
 N                  2.25856090   -1.94176655   -2.61351200
 N                  2.05221590   -1.36032355   -1.46024300
 N                  2.32985590   -0.71184155    1.28620000
 N                  2.79916090   -1.09971755    2.44899200
 Cu                 3.61021790   -0.36636055   -0.30519800
 O                 -1.16941310   -1.01739055    0.14698300
 C                 -2.06692010   -0.17924955    0.88191800
 H                 -2.35546010    0.70719845    0.30427900
 H                 -2.95236410   -0.79301755    1.06551500
 H                 -1.64595510    0.14589945    1.83976200
 C                  0.94352290   -2.75003255   -4.48134700
 H                  1.65030690   -3.57340355   -4.59911100
 H                 -0.07230510   -3.13856255   -4.58757600
 C                  0.33551490    4.04322045   -2.10630100
 H                 -0.52056610    3.96252045   -2.78087000
 H                  0.18519290    4.91279045   -1.46177000
 C                  1.95559590   -2.12912355    4.47924300
 H                  2.93515090   -1.77649255    4.81155600
 H                  1.19411690   -1.72016155    5.14667300
 C                  1.23146190   -1.62381455   -5.45461000
 C                  2.36445590   -1.66334255   -6.27337300
 C                  0.39204090   -0.50100755   -5.49618600
 C                  2.65719790   -0.59304955   -7.12419000
 H                  3.02677590   -2.52396255   -6.23387600
 C                  0.69146590    0.57337645   -6.33442300
 H                 -0.49228210   -0.46644155   -4.86339500
 C                  1.82748390    0.52974445   -7.14975800
 H                  3.54233790   -0.63191555   -7.75280800
 H                  0.03901490    1.44221045   -6.35409300
 H                  2.06460790    1.36836745   -7.79858800
 C                  1.89044190   -3.64177255    4.42233800
 C                  0.98871990   -4.34249355    5.22969500
 C                  2.73779590   -4.34963055    3.55790600
 C                  0.93642290   -5.73893255    5.18057800
 H                  0.32733990   -3.79609555    5.89809700
 C                  2.68012690   -5.74214855    3.50363800
 H                  3.43829790   -3.80788955    2.92639300
 C                  1.77983690   -6.44021155    4.31650100
 H                  0.23363190   -6.27484255    5.81295800
 H                  3.33950190   -6.28264755    2.82991000
 H                  1.73727790   -7.52529755    4.27446300
 C                  1.63098690    4.14475845   -2.88071500
 C                  1.64140090    3.99184445   -4.27110200
 C                  2.83279090    4.40483245   -2.20608800
 C                  2.83742790    4.11169745   -4.98551100
 H                  0.71217190    3.78179945   -4.79600700
 C                  4.02457790    4.52824245   -2.91905700
 H                  2.82859090    4.50829545   -1.12357800
 C                  4.02798390    4.38665545   -4.31114700
 H                  2.83775590    3.98337045   -6.06444700
 H                  4.95321490    4.72381145   -2.39161200
 H                  4.96067590    4.46870845   -4.86060800
 N                  4.76839790   -0.36459355   -1.79778800
 S                  5.93282890   -1.46483355   -1.62667700
 O                  5.72577690   -2.18170055   -0.33029300
 O                  5.97612390   -2.27033655   -2.87220000
 C                  7.55126490   -0.69165655   -1.50158600
 C                  7.96241290   -0.14331455   -0.28547600
 C                  8.36213590   -0.59532055   -2.63633200
 C                  9.19287690    0.51045545   -0.21291000
 H                  7.32436790   -0.22076055    0.58717000
 C                  9.58972690    0.05613045   -2.54597800
 H                  8.03080990   -1.02423655   -3.57507600
 C                 10.02337090    0.62225045   -1.33715700
 H                  9.51329090    0.93934245    0.73350500
 H                 10.21679790    0.13683545   -3.43042900
 C                 11.35038990    1.33776045   -1.26461700
 H                 12.18245390    0.65580945   -1.48232200
 H                 11.39970990    2.14767445   -2.00319200
 H                 11.52114990    1.77198945   -0.27422900
 Cl                 4.83562090    1.28236945    0.65957300
 C                  4.01875490    0.88049445   -4.11428800
 H                  3.19734290    0.22346045   -4.37791600
 C                  5.17549290    0.84801445   -4.80026800
 H                  5.25869090    0.16691945   -5.64704200
 H                  3.84934590    1.56930645   -3.29567700
 C                  6.36563790    1.66041645   -4.52200200
 C                  6.57163090    2.29534345   -3.27938900
 C                  7.35045890    1.81179545   -5.51701600
 C                  7.70125790    3.07969945   -3.06033600
 H                  5.85939990    2.14151445   -2.47686700
 C                  8.48219490    2.59827345   -5.29668300
 H                  7.21762590    1.31227545   -6.47444500
 C                  8.65869890    3.24284145   -4.06888600
 H                  7.84670490    3.54816445   -2.09043500
 H                  9.22624690    2.70640445   -6.08199400
 H                  9.54093090    3.85267245   -3.89191700

-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

