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

TS0-2-Cu+-SP

1 1
 C                  1.64285718   -1.78571426    0.00000000
 C                  2.55879518   -2.19138226   -1.13476300
 C                  2.39284518   -1.84047526    1.32165600
 C                  1.22731918   -0.35367826   -0.29281200
 C                  0.95727118    0.21840374   -1.52072700
 H                  0.95715218   -0.16943526   -2.52748000
 C                  2.37028118   -3.02418626   -2.21081200
 H                  1.56570618   -3.68394926   -2.49241600
 C                  2.06060418   -2.42609226    2.52201900
 H                  1.21246218   -3.01027026    2.84060900
 N                  3.08372118   -2.10495426    3.35495500
 N                  0.72365018    1.51726274   -1.24049800
 N                  3.47863818   -2.84078526   -2.97780400
 N                  1.13993918    0.61681074    0.66126700
 N                  0.84237018    1.75327874    0.08525400
 N                  4.31123118   -1.95266626   -2.43874700
 N                  3.74991118   -1.56174426   -1.31956900
 N                  3.59306718   -1.22434326    1.50976000
 N                  4.01410218   -1.38162526    2.74030300
 Cu                 4.66118018   -0.37464526    0.02738100
 O                  0.57643518   -2.72332326    0.00225400
 C                 -0.66196882   -2.26899326    0.56479200
 H                 -1.16771182   -1.56342026   -0.10453000
 H                 -1.27687082   -3.16424326    0.68048000
 H                 -0.52330982   -1.79501526    1.54319300
 C                  3.72376918   -3.34018526   -4.34055900
 H                  4.79022418   -3.18818126   -4.52396800
 H                  3.51591918   -4.41199626   -4.34287700
 C                  0.52842418    2.61844774   -2.18668200
 H                 -0.42191982    2.46698174   -2.70594100
 H                  0.44057018    3.51934174   -1.57267000
 C                  3.28177718   -2.51290526    4.76125300
 H                  3.47553518   -1.60428026    5.33417900
 H                  2.32995918   -2.93877126    5.08541800
 C                  2.85779018   -2.59657826   -5.33848100
 C                  2.94928418   -1.20035526   -5.44396300
 C                  1.94562518   -3.29026626   -6.14010300
 C                  2.13452118   -0.50940826   -6.34063400
 H                  3.65231418   -0.65332326   -4.82026800
 C                  1.13561118   -2.59775226   -7.04547800
 H                  1.86801018   -4.37154926   -6.05701100
 C                  1.22640918   -1.20803726   -7.14417600
 H                  2.20980218    0.57170574   -6.40939900
 H                  0.43115118   -3.14471326   -7.66618000
 H                  0.59244818   -0.66943226   -7.84337500
 C                  4.41773318   -3.50296726    4.88168300
 C                  4.25130418   -4.82184426    4.43557000
 C                  5.65951518   -3.09471326    5.38007300
 C                  5.31979118   -5.71798926    4.47909000
 H                  3.28693118   -5.14141126    4.04718700
 C                  6.72816418   -3.99426326    5.42945500
 H                  5.79336818   -2.07018426    5.71579200
 C                  6.56094318   -5.30400626    4.97504900
 H                  5.18585818   -6.73774126    4.12875100
 H                  7.69045718   -3.66735726    5.81263200
 H                  7.39317718   -6.00185026    5.00656000
 C                  1.67648418    2.71843874   -3.17507400
 C                  1.41858318    3.06798974   -4.50529100
 C                  2.99727318    2.47525174   -2.77306000
 C                  2.46790018    3.18148474   -5.42213000
 H                  0.39560918    3.24946974   -4.82648300
 C                  4.04329018    2.57143774   -3.69223600
 H                  3.21716118    2.20072374   -1.74565600
 C                  3.78192118    2.92697174   -5.01957500
 H                  2.25572018    3.45583974   -6.45207900
 H                  5.05845418    2.36549374   -3.36540700
 H                  4.59571718    3.00285274   -5.73569700
 N                  5.92318818    0.51030874    1.11907100
 I                  8.14706218   -1.10692626    2.78845600
 S                  6.46359318    1.48935174   -0.03113000
 C                  7.36574118   -2.42544726    1.33310000
 O                  5.37861318    1.07376474   -1.07634600
 O                  6.57531018    2.91857974    0.28330400
 C                  7.99573418    0.98318874   -0.78589100
 C                  7.87094118   -2.38161026    0.02945500
 C                  6.32647218   -3.29465726    1.67678700
 C                  7.97553118    0.25780874   -1.97983100
 C                  9.19779018    1.28281674   -0.13527700
 C                  7.30075718   -3.20210126   -0.94812100
 H                  8.68932318   -1.71938026   -0.22371800
 C                  5.77167418   -4.11274526    0.68856800
 H                  5.94612518   -3.32553826    2.68832500
 C                  9.18586718   -0.16494726   -2.52904300
 H                  7.03581418    0.02424974   -2.46690900
 C                 10.39084618    0.83034774   -0.68911400
 H                  9.20310418    1.85610174    0.78602000
 C                  6.24879018   -4.06309226   -0.62415400
 H                  7.68102318   -3.15715526   -1.96479900
 H                  4.95934818   -4.78422626    0.95338300
 C                 10.40581418    0.10144874   -1.89154800
 H                  9.17878218   -0.71945326   -3.46346200
 H                 11.32825018    1.05154274   -0.18567600
 H                  5.80417918   -4.69213826   -1.39023100
 C                 11.71015118   -0.39211226   -2.46455800
 H                 12.45755418    0.40928374   -2.49357500
 H                 12.12612318   -1.19588026   -1.84324100
 H                 11.58296918   -0.78282326   -3.47877100

-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
****
-I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308000              1.0000000
D   1   1.00
      0.2940000              1.0000000
****
-N -C -H -O -Cl -S -B 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
-I     0
I-ECP     3     46
f-ul potential
  5
0      1.0715702             -0.0747621
1     44.1936028            -30.0811224
2     12.9367609            -75.3722721
2      3.1956412            -22.0563758
2      0.8589806             -1.6979585
s-ul potential
  5
0    127.9202670              2.9380036
1     78.6211465             41.2471267
2     36.5146237            287.8680095
2      9.9065681            114.3758506
2      1.9420086             37.6547714
p-ul potential
  5
0     13.0035304              2.2222630
1     76.0331404             39.4090831
2     24.1961684            177.4075002
2      6.4053433             77.9889462
2      1.5851786             25.7547641
d-ul potential
  5
0     40.4278108              7.0524360
1     28.9084375             33.3041635
2     15.6268936            186.9453875
2      4.1442856             71.9688361
2      0.9377235              9.3630657





