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

St-4-+-s-SP

1 1
 C                 -1.04790417   -0.44910179    0.00000000
 C                 -0.06636317   -1.14701579   -0.92185900
 C                 -0.74176117   -0.80408979    1.44400500
 C                 -0.89828817    1.04018021   -0.25017300
 C                 -0.74792217    1.66366221   -1.47417600
 H                 -0.68089617    1.28440021   -2.48098100
 C                 -0.28875817   -1.91713479   -2.03881500
 H                 -1.18827117   -2.28856879   -2.50120400
 C                 -1.52103817   -1.42380779    2.39437400
 H                 -2.53416617   -1.79222779    2.38462300
 N                 -0.71867517   -1.51654979    3.48415800
 N                 -0.64327217    2.97391521   -1.17250700
 N                  0.95193683   -2.16084879   -2.53332500
 N                 -0.89140517    1.99505521    0.72151600
 N                 -0.73247217    3.16901421    0.16139800
 N                  1.89972083   -1.58554379   -1.78967000
 N                  1.27982483   -0.96861879   -0.80740600
 N                  0.47851983   -0.57714979    2.00393400
 N                  0.49465183   -1.01199979    3.24445800
 Cu                 2.14600483   -0.09718979    0.86681000
 O                 -2.33027317   -0.95611579   -0.35975200
 C                 -3.45268717   -0.14423379    0.00252600
 H                 -3.52437117    0.74796521   -0.63075800
 H                 -4.33260917   -0.77158479   -0.15769200
 H                 -3.41745517    0.16830621    1.05272600
 C                  1.30816783   -2.82044079   -3.79996100
 H                  2.23225483   -3.37330779   -3.62312200
 H                  0.50739683   -3.53404279   -4.00790600
 C                 -0.45068517    4.11171521   -2.08203300
 H                 -1.43425717    4.46992921   -2.39964500
 H                  0.01757483    4.89342521   -1.47746300
 C                 -0.99766117   -2.18743879    4.76331200
 H                 -0.30819917   -1.74611379    5.48661300
 H                 -2.01842517   -1.92898779    5.05123100
 C                  1.46978483   -1.81522979   -4.92195000
 C                  2.72029083   -1.61704779   -5.51605700
 C                  0.36931483   -1.06942279   -5.36934200
 C                  2.86973383   -0.69368479   -6.55541400
 H                  3.57678483   -2.18917379   -5.16827200
 C                  0.52020083   -0.13961879   -6.39749400
 H                 -0.60665417   -1.21805779   -4.91297900
 C                  1.77097483    0.04595321   -6.99638400
 H                  3.84396883   -0.55164979   -7.01525700
 H                 -0.33529517    0.43993921   -6.73314300
 H                  1.88579383    0.76713921   -7.80046900
 C                 -0.81277417   -3.68696479    4.65172100
 C                 -1.90069217   -4.55146879    4.81123200
 C                  0.45539883   -4.21770379    4.37589900
 C                 -1.72478017   -5.93417279    4.70058200
 H                 -2.88572217   -4.14334279    5.02480400
 C                  0.63010183   -5.59669679    4.25996800
 H                  1.30229583   -3.54732379    4.25153300
 C                 -0.46052917   -6.45815779    4.42329100
 H                 -2.57500217   -6.59840079    4.82939200
 H                  1.61649183   -6.00033079    4.04780200
 H                 -0.32293017   -7.53250479    4.33595100
 C                  0.40342783    3.75373721   -3.27971500
 C                  0.00599983    4.15301021   -4.56060300
 C                  1.60760583    3.05089721   -3.12351500
 C                  0.80462083    3.86538721   -5.67131100
 H                 -0.92993717    4.69121121   -4.68983100
 C                  2.39721483    2.75164421   -4.23316100
 H                  1.92388683    2.73397921   -2.13493800
 C                  2.00103683    3.16385621   -5.50935400
 H                  0.48651483    4.18234221   -6.66090600
 H                  3.32310083    2.19905021   -4.09985800
 H                  2.61682983    2.92906621   -6.37238800
 C                  3.70385883    0.64303121    2.05338700
 H                  3.24138183    1.31963321    2.76916400
 C                  4.00945483    1.04022321    0.77072300
 H                  4.67791383    0.41501221    0.17880700
 H                  4.13290583   -0.27225679    2.45814700
 C                  3.70324783    2.37086421    0.20305500
 C                  2.63721183    3.16115421    0.67357100
 C                  4.52775083    2.88717821   -0.81232200
 C                  2.43235083    4.44575421    0.17346200
 H                  1.95819983    2.76080621    1.42095300
 C                  4.32638683    4.17677921   -1.30540000
 H                  5.34306283    2.27978821   -1.19755400
 C                  3.28312783    4.96318921   -0.80927000
 H                  1.59847383    5.03463721    0.54339100
 H                  4.97914483    4.56396221   -2.08278000
 H                  3.12144083    5.96408421   -1.19955000

-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





