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

TS1-Cl-t-2-SP

0 3
 C                 -1.00909094    0.07270235   -0.00190378
 C                 -0.65844794   -0.73560965   -1.23067778
 C                  0.09888606   -0.01755565    1.02661422
 C                 -1.17575594    1.51011235   -0.46545778
 C                 -1.44350494    1.98014535   -1.73733278
 H                 -1.57260394    1.49338335   -2.69203578
 C                 -1.49208394   -1.41958165   -2.08379578
 H                 -2.54083494   -1.66437165   -2.03773778
 C                  0.11300006   -0.57943265    2.28362622
 H                 -0.64206794   -1.07423865    2.87288922
 N                  1.38190406   -0.38750365    2.72477222
 N                 -1.48974794    3.32216035   -1.59598378
 N                 -0.69852394   -1.74817265   -3.13622278
 N                 -1.07092594    2.58201335    0.37284622
 N                 -1.25573794    3.67922335   -0.31296378
 N                  0.54740606   -1.30318265   -2.96877578
 N                  0.57371506   -0.68925965   -1.80954578
 N                  1.34711006    0.46372535    0.77699122
 N                  2.12336006    0.24419035    1.81372222
 Cu                 2.31545206    0.37853635   -1.19254578
 O                 -2.20493894   -0.51518865    0.50685122
 C                 -2.98660694    0.29449735    1.39077322
 H                 -3.49990094    1.09974235    0.85189322
 H                 -3.72919194   -0.37948765    1.82496122
 H                 -2.38364594    0.73421535    2.19334022
 C                 -1.12045094   -2.21527465   -4.46467478
 H                 -0.21430394   -2.56949865   -4.96190978
 H                 -1.80498294   -3.05478765   -4.32847078
 C                 -1.61927394    4.33645335   -2.64051178
 H                 -2.51248694    4.10929535   -3.22866378
 H                 -1.79004294    5.28045735   -2.11468278
 C                  1.98621506   -0.80189165    4.00055022
 H                  2.13994306    0.09298835    4.60910222
 H                  1.23680206   -1.42563865    4.49615822
 C                 -1.77386194   -1.07015565   -5.21684978
 C                 -1.06708394    0.12580335   -5.41452478
 C                 -3.09053494   -1.17447765   -5.67556078
 C                 -1.67608894    1.20449535   -6.05657578
 H                 -0.04100794    0.21272135   -5.06960478
 C                 -3.69788394   -0.09608865   -6.32734978
 H                 -3.64409394   -2.09721965   -5.51873878
 C                 -2.99428394    1.09597835   -6.51376678
 H                 -1.11819094    2.12577735   -6.19944178
 H                 -4.72186594   -0.18696265   -6.67986478
 H                 -3.46886194    1.93652635   -7.01322178
 C                  3.28853406   -1.54696765    3.78926422
 C                  4.41253306   -1.21628265    4.55365222
 C                  3.38438506   -2.56634465    2.83285322
 C                  5.61594206   -1.90480865    4.37358722
 H                  4.34981106   -0.41436465    5.28528822
 C                  4.58842106   -3.24418665    2.64399522
 H                  2.52951306   -2.80907665    2.20797522
 C                  5.70692306   -2.91783965    3.41677022
 H                  6.48429406   -1.63613965    4.96938022
 H                  4.65547906   -4.00847865    1.87589922
 H                  6.64714506   -3.44020465    3.26236922
 C                 -0.39050294    4.41354035   -3.52814278
 C                 -0.53849794    4.71702835   -4.88712878
 C                  0.89379006    4.22057835   -3.00310278
 C                  0.58467906    4.84578635   -5.70900978
 H                 -1.53399594    4.85515135   -5.30268878
 C                  2.01506706    4.34163035   -3.82570578
 H                  1.02775406    3.96950935   -1.95451578
 C                  1.86479506    4.66190335   -5.17848478
 H                  0.45840206    5.08420535   -6.76181078
 H                  3.00065306    4.17812135   -3.40053778
 H                  2.73932306    4.76102435   -5.81594278
 N                  3.40763706   -0.87025165   -2.25633678
 S                  4.39718606   -1.95116965   -1.51483578
 O                  3.53028506   -2.72327165   -0.58242178
 O                  5.13743206   -2.72143665   -2.54297978
 C                  5.62406906   -1.10477465   -0.52118578
 C                  5.21342206   -0.43359965    0.63419022
 C                  6.96774306   -1.12799065   -0.89620178
 C                  6.16265606    0.20573335    1.42279722
 H                  4.17035406   -0.41483065    0.92393322
 C                  7.90936006   -0.48267365   -0.09138078
 H                  7.26999806   -1.65330865   -1.79577978
 C                  7.52469306    0.18660135    1.07875222
 H                  5.84235606    0.71853535    2.32583722
 H                  8.95872906   -0.50605465   -0.37497778
 C                  8.54024106    0.85398535    1.97273122
 H                  8.61813406    0.32504435    2.93214222
 H                  9.53490506    0.86951535    1.51586622
 H                  8.25116906    1.88723535    2.19977622
 Cl                 3.59377706    2.27964335   -1.09704778
 C                  3.88047106    0.96347135   -4.47639478
 C                  4.83497706    0.34116835   -3.73708078
 H                  5.22519906   -0.63378165   -4.00559278
 H                  3.62052906    1.98958535   -4.22667878
 C                  3.10439506    0.34412635   -5.54628378
 C                  3.00366706   -1.05758265   -5.68012478
 C                  2.40669606    1.15620035   -6.46431678
 C                  2.25715906   -1.61795565   -6.71460678
 H                  3.48468906   -1.69816865   -4.94809278
 C                  1.66895906    0.59208435   -7.50369078
 H                  2.45283206    2.23624935   -6.35625978
 C                  1.59235906   -0.79802465   -7.63493878
 H                  2.18568706   -2.69941465   -6.79991978
 H                  1.14306206    1.23542135   -8.20426578
 H                  1.00787006   -1.23982165   -8.43754778
 H                  5.34312106    0.87703335   -2.94366578

-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

