%nprocshared=24
%mem=124GB
#p b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

TS1-+-s-SP

1 1
 C                 -1.04536498    0.07272727    0.01368457
 C                 -1.02151898   -1.20872873   -0.79504743
 C                  0.18066402    0.10816627    0.91096057
 C                 -0.97600598    1.23404827   -0.96743143
 C                 -1.32450298    1.26304827   -2.30617843
 H                 -1.71452998    0.51574127   -2.97934943
 C                 -2.05215998   -1.94899273   -1.33238043
 H                 -3.12486798   -1.88487973   -1.24459543
 C                  0.32964602   -0.00373473    2.27528957
 H                 -0.38047498   -0.10095173    3.08104457
 N                  1.67213802    0.03385827    2.47941757
 N                 -1.03152998    2.51848527   -2.70417943
 N                 -1.42778598   -2.87948673   -2.09872043
 N                 -0.48558798    2.46295027   -0.63060743
 N                 -0.51817598    3.23981127   -1.68387643
 N                 -0.09683698   -2.73045173   -2.05463043
 N                  0.15052602   -1.71765173   -1.26362043
 N                  1.43348702    0.19427027    0.38815157
 N                  2.33903002    0.15728527    1.33631957
 Cu                 1.91367502   -0.02664573   -1.51724843
 O                 -2.23656898    0.02862927    0.78745357
 C                 -2.66862898    1.26960327    1.35691557
 H                 -3.05643698    1.95083527    0.59058957
 H                 -3.47272898    1.00999127    2.04936457
 H                 -1.86461998    1.77312427    1.90646457
 C                 -2.01564498   -3.79640273   -3.08415443
 H                 -1.30723398   -4.62180073   -3.18968343
 H                 -2.94527598   -4.18495473   -2.66436743
 C                 -1.09348898    3.08030927   -4.06345643
 H                 -2.01980698    2.72084827   -4.51671643
 H                 -1.16083698    4.16271227   -3.93761443
 C                  2.41279802   -0.01936973    3.75939157
 H                  2.57930302    1.00970427    4.08786457
 H                  1.74384602   -0.50950773    4.47044657
 C                 -2.25158698   -3.08469473   -4.40427343
 C                 -1.18026198   -2.48283673   -5.08245543
 C                 -3.53889698   -3.01271673   -4.94725043
 C                 -1.40252898   -1.82067273   -6.29077743
 H                 -0.17499398   -2.52545273   -4.67169243
 C                 -3.75851298   -2.35158473   -6.15992843
 H                 -4.37149298   -3.47635873   -4.42318043
 C                 -2.69125198   -1.75210673   -6.83227443
 H                 -0.56519398   -1.36265573   -6.80988543
 H                 -4.76221698   -2.30337173   -6.57371943
 H                 -2.85989698   -1.23628673   -7.77392343
 C                  3.71416502   -0.76883573    3.59561557
 C                  4.92960802   -0.07764673    3.56981057
 C                  3.70577702   -2.15945373    3.41774257
 C                  6.12878002   -0.76863273    3.37234157
 H                  4.93771102    1.00136827    3.70155957
 C                  4.90078802   -2.84845873    3.21147257
 H                  2.76100002   -2.69805973    3.43229457
 C                  6.11529502   -2.15358173    3.18991257
 H                  7.06956902   -0.22521873    3.36108157
 H                  4.88742202   -3.92544573    3.07077257
 H                  7.04645802   -2.69161573    3.03619957
 C                  0.11463402    2.68509827   -4.88584443
 C                  0.06747802    1.55961427   -5.71724343
 C                  1.30395602    3.41916627   -4.78938543
 C                  1.19708102    1.16613627   -6.43707143
 H                 -0.85121598    0.98358027   -5.79359943
 C                  2.43148602    3.03123827   -5.51760643
 H                  1.34294102    4.29557727   -4.14669143
 C                  2.38122802    1.90050427   -6.33859143
 H                  1.15694802    0.28104527   -7.06530643
 H                  3.34765402    3.61127927   -5.44370143
 H                  3.26268402    1.58686927   -6.88921543
 N                  2.21439502   -0.21668873   -3.34226343
 S                  3.23357002   -1.24978873   -4.08361043
 O                  2.24875202   -2.11545273   -4.79086443
 O                  4.26553002   -0.60505973   -4.92128143
 C                  4.11856702   -2.22453673   -2.86260443
 C                  3.41967902   -2.85013073   -1.82331043
 C                  5.50683802   -2.34588073   -2.96190243
 C                  4.12722802   -3.56700773   -0.85978143
 H                  2.33955002   -2.78821473   -1.77113843
 C                  6.19634002   -3.07502573   -1.99656643
 H                  6.03427002   -1.85733473   -3.77175143
 C                  5.52401702   -3.68652673   -0.92658943
 H                  3.58532702   -4.04654373   -0.04879943
 H                  7.27741302   -3.16246673   -2.06798543
 C                  6.29923202   -4.43262073    0.12914257
 H                  7.05267902   -5.08820773   -0.32240743
 H                  6.83063502   -3.73017873    0.78367857
 H                  5.64314002   -5.04238573    0.75785457
 C                  2.80293802    1.87673827   -1.72278243
 H                  1.93520702    2.38084527   -2.14159843
 C                  3.82521302    1.47596027   -2.59500943
 H                  3.69687002    1.68890527   -3.65001343
 H                  3.01051702    2.05644727   -0.67111043
 C                  5.12042602    0.99955627   -2.15477043
 C                  6.19359002    1.01612427   -3.06917643
 C                  5.34395002    0.54342027   -0.83610043
 C                  7.46834402    0.62990027   -2.66253143
 H                  6.01343902    1.33141727   -4.09127143
 C                  6.61376202    0.14456427   -0.44096943
 H                  4.51817002    0.48133227   -0.13254243
 C                  7.67980402    0.19553827   -1.35057343
 H                  8.29290802    0.65627627   -3.36880943
 H                  6.77339302   -0.21632973    0.57072657
 H                  8.67223202   -0.11648373   -1.03706943

-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

