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

St-4-Cl-s-SP

0 1
 C                 -0.78815292   -1.60691886   -0.00039544
 C                 -0.20500392   -2.05670686   -1.32336544
 C                  0.15953108   -1.92955786    1.14038656
 C                 -1.03020592   -0.11428786   -0.09740544
 C                 -1.35291792    0.62016214   -1.22163444
 H                 -1.47239392    0.35332814   -2.25915344
 C                 -0.75616992   -2.84177986   -2.30973344
 H                 -1.68662192   -3.38101386   -2.37901244
 C                 -0.05037992   -2.71418186    2.25152656
 H                 -0.90084992   -3.27894486    2.59484356
 N                  1.12846808   -2.67645786    2.92025456
 N                 -1.45272492    1.88955114   -0.77572944
 N                  0.15560008   -2.80955286   -3.31377244
 N                 -0.96500492    0.73563414    0.96573356
 N                 -1.21730292    1.95206414    0.55413956
 N                  1.20859408   -2.04458986   -2.99000444
 N                  0.99145808   -1.59148586   -1.77873044
 N                  1.44023708   -1.46901686    1.19470856
 N                  2.02945408   -1.92215886    2.27748256
 Cu                 2.42402508   -0.59699086   -0.47994144
 O                 -1.98916192   -2.36810486    0.15784956
 C                 -2.97835092   -1.81417986    1.02891756
 H                 -3.49359292   -0.96458486    0.56410356
 H                 -3.69745192   -2.61766086    1.20777556
 H                 -2.55579092   -1.48900486    1.98658756
 C                  0.02292208   -3.33416486   -4.67542344
 H                  1.03400208   -3.33604086   -5.09157944
 H                 -0.32301492   -4.36809486   -4.60698044
 C                 -1.74904992    3.10772714   -1.53954244
 H                 -2.83533592    3.21448714   -1.61835244
 H                 -1.36991492    3.93303214   -0.92992144
 C                  1.47424508   -3.27636086    4.21795156
 H                  2.56120008   -3.39627386    4.20398956
 H                  1.22173008   -2.55795286    5.00301256
 C                 -0.92476492   -2.48768086   -5.50470644
 C                 -0.79608292   -1.09111486   -5.52522444
 C                 -1.93338192   -3.09568186   -6.25906644
 C                 -1.66892692   -0.31639186   -6.28964744
 H                 -0.01722492   -0.60885486   -4.93946444
 C                 -2.80196492   -2.31964586   -7.03273744
 H                 -2.04179992   -4.17758886   -6.24054444
 C                 -2.67322692   -0.92930686   -7.04672744
 H                 -1.56305692    0.76447014   -6.29114344
 H                 -3.58224592   -2.80259786   -7.61498644
 H                 -3.35254392   -0.32460086   -7.64172344
 C                  0.77143308   -4.59526686    4.44854056
 C                  0.04097008   -4.80416686    5.62329956
 C                  0.86135508   -5.62778486    3.50331056
 C                 -0.58487792   -6.03231286    5.85792156
 H                 -0.03861092   -4.00515586    6.35636656
 C                  0.22997108   -6.84982986    3.73309156
 H                  1.41867108   -5.46831686    2.58494456
 C                 -0.49177092   -7.05693486    4.91379956
 H                 -1.14798892   -6.18398186    6.77487956
 H                  0.30405608   -7.64150186    2.99205056
 H                 -0.98227492   -8.01002186    5.09309856
 C                 -1.10879592    3.08688914   -2.91215944
 C                 -1.86757892    3.39964814   -4.04522244
 C                  0.24843208    2.76245614   -3.05980644
 C                 -1.27752892    3.40213114   -5.31331544
 H                 -2.92182992    3.64386614   -3.93741944
 C                  0.83191308    2.74944614   -4.32705444
 H                  0.84820708    2.50681914   -2.18887444
 C                  0.07231608    3.07188714   -5.45745344
 H                 -1.87536092    3.65144814   -6.18610044
 H                  1.88276008    2.49096414   -4.42860444
 H                  0.52976608    3.06362314   -6.44322844
 Cl                 2.81717708    1.71691214   -0.53304944
 C                  2.97216108   -6.12845886    0.21401256
 C                  3.70884408   -5.45003586    1.18894556
 C                  4.13910108   -4.14304586    0.95775756
 C                  3.86006108   -3.49104686   -0.25722944
 C                  3.12356208   -4.18966586   -1.23383544
 C                  2.68046708   -5.48884186   -0.99674344
 H                  2.62974108   -7.14408886    0.39418256
 H                  3.94175708   -5.93571986    2.13279456
 H                  4.70033608   -3.61550386    1.72460356
 H                  2.88460308   -3.70948886   -2.17598344
 H                  2.10739308   -6.00709586   -1.76154244
 C                  4.35483808   -2.11648886   -0.45003044
 H                  4.87044808   -1.69257586    0.41114656
 C                  4.29500508   -1.36673486   -1.58292144
 H                  4.80283008   -0.40841986   -1.63150344
 H                  3.86661208   -1.73874986   -2.50983544

-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





