%nprocshared=24
%mem=120000MB
%chk=smd-c5i7.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.45544600    0.41055600    0.84508000
 C                  1.84601300    1.70963300    2.11167100
 H                  0.90243200    2.08662300    2.53436300
 H                  2.17782000    0.93117000    2.81979800
 C                  1.52722500    1.05361000    0.73149600
 H                  1.52110600    1.86608600   -0.01695800
 P                 -1.73777300    1.51756000   -0.97695300
 P                 -1.07057700   -1.82950700    0.57890200
 B                  2.90170100    2.86205400    2.07595800
 O                  2.80240600    3.96011800    1.24402300
 O                  4.05054600    2.90977500    2.84871900
 C                  3.87684300    4.84757600    1.53822000
 H                  3.48474100    5.72353200    2.06834200
 H                  4.34268400    5.18540400    0.60779600
 C                  4.83170600    4.02107400    2.41555900
 H                  5.19935900    4.57577900    3.28354700
 H                  5.69429700    3.65031800    1.84788800
 C                 -0.63168300   -2.50550400   -1.09445100
 C                  0.27258200   -3.48566300   -3.56570900
 C                  0.25569200   -1.75973900   -1.87853800
 C                 -1.09891100   -3.72989500   -1.58905200
 C                 -0.64661800   -4.21715200   -2.81303700
 C                  0.71622000   -2.24869200   -3.10173600
 H                 -1.82467700   -4.30579100   -1.02101500
 H                 -1.01656700   -5.16920800   -3.18299400
 H                  0.62479600   -3.86983700   -4.51866600
 C                 -1.12204000    1.22257900   -2.69164600
 C                  0.01195700    0.64340600   -5.19523400
 C                 -1.87906800    0.60535000   -3.68988200
 C                  0.21787900    1.53990000   -2.96283600
 C                  0.77679400    1.26204900   -4.20521300
 C                 -1.31376000    0.31324800   -4.93111100
 H                  0.82717600    2.01026400   -2.19457800
 H                  1.81306400    1.52492100   -4.40006300
 H                  0.44905300    0.42285500   -6.16501000
 C                 -3.57657900    1.40018000   -1.17462100
 C                 -6.37486500    1.08937300   -1.08329400
 C                 -4.42846100    2.49967700   -1.32367300
 C                 -4.17971500    0.15012100   -1.01072900
 C                 -5.55995100   -0.03174800   -0.95210800
 C                 -5.81205600    2.34758300   -1.28150700
 H                 -4.00582700    3.49176000   -1.44599400
 H                 -6.45290900    3.21757300   -1.38832600
 H                 -7.45407000    0.97255200   -1.02710900
 C                 -2.76826000   -2.51125400    0.79309000
 C                 -5.49005100   -3.12921500    1.11700200
 C                 -3.17493400   -3.45756600    1.73650400
 C                 -3.76257400   -1.89890700    0.02527400
 C                 -5.11634800   -2.18588100    0.16173200
 C                 -4.52591600   -3.76367500    1.89631200
 H                 -2.43841600   -3.94113400    2.37101200
 H                 -4.82739300   -4.49402800    2.64083700
 H                 -6.54324500   -3.36027200    1.25356200
 C                 -0.01275800   -2.91908100    1.64930500
 C                  1.89192700   -4.35342200    3.13785300
 C                  0.82500200   -2.26373900    2.56094100
 C                  0.09693200   -4.31253200    1.51722000
 C                  1.04386500   -5.02414500    2.25269400
 C                  1.77297200   -2.97435400    3.29897600
 H                  0.74591200   -1.18428000    2.66860600
 H                 -0.54548400   -4.85037400    0.82657600
 H                  1.12237600   -6.10073600    2.13222400
 H                  2.42041700   -2.44483000    3.99141400
 H                  2.63590200   -4.90728600    3.70277600
 C                 -1.47624100    3.33206900   -0.77898000
 C                 -1.04901000    6.05416000   -0.30723700
 C                 -1.48398100    4.24320800   -1.84224400
 C                 -1.24710300    3.79044600    0.52484600
 C                 -1.03963700    5.15057700    0.75263200
 C                 -1.27096900    5.59877800   -1.60698500
 H                 -1.65473900    3.89408500   -2.85744200
 H                 -1.23437200    3.06848400    1.35123100
 H                 -0.85815900    5.50178800    1.76523000
 H                 -1.27740600    6.30032100   -2.43686700
 H                 -0.87925800    7.11200400   -0.12482000
 H                  0.57012200   -0.78063800   -1.52794300
 H                 -2.91998600    0.35302300   -3.50976500
 H                  1.39903000   -1.64961900   -3.69671300
 H                 -1.91830900   -0.16792400   -5.69501900
 O                 -3.35278300   -0.94594100   -0.88003800
 C                 -6.07919300   -1.43289800   -0.72471100
 C                  2.65117500    0.10106700    0.31400000
 H                  2.72622800   -0.70810200    1.06652000
 H                  2.39002900   -0.36608700   -0.65127200
 C                  4.06607700    0.68271100    0.13711200
 H                  4.42728300    1.08662100    1.09067000
 H                  4.01630400    1.52215000   -0.57013500
 H                 -7.07704300   -1.40626500   -0.27705800
 H                 -6.17403300   -1.95325000   -1.68873300
 C                  5.06708000   -0.35892200   -0.37361700
 H                  4.71464200   -0.77769200   -1.32683400
 H                  5.14352200   -1.18278900    0.35003700
 O                 -1.22255600    1.39119900    2.48291500
 C                 -2.30853400    1.08122200    3.26359000
 C                 -3.59950200    0.98200800    2.42277200
 C                 -2.10491900   -0.26315500    3.99875700
 C                 -2.50017500    2.18967300    4.32238500
 H                 -3.77398600    1.92580600    1.89073900
 H                 -3.48321000    0.19262200    1.67311300
 H                 -4.49222400    0.75333100    3.02299500
 H                 -1.18104800   -0.22696200    4.59021500
 H                 -2.93666800   -0.51758400    4.67164100
 H                 -2.00312500   -1.07540500    3.26826000
 H                 -3.35026700    2.00340500    4.99414900
 H                 -1.59232200    2.28001700    4.93248300
 H                 -2.66208400    3.15365600    3.82301200
 C                  6.43945200    0.25438700   -0.57370100
 H                  6.85105100    0.64928800    0.35619900
 H                  6.42789400    1.04191600   -1.32817500
 Br                 7.76670000   -1.07059900   -1.21833400
 K                  2.49459800   -3.14083400   -0.20799600

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
F   1   1.00
      3.5250000              1.0000000
****
P     0
S   1   1.00
      1.5160000              1.0000000
S   1   1.00
      0.3369000              1.0000000
S   1   1.00
      0.1211000              1.0000000
P   1   1.00
      3.7050000              1.0000000
P   1   1.00
      0.3934000              1.0000000
P   1   1.00
      0.1190000              1.0000000
P   1   1.00
      0.0298000              1.0000000
D   1   1.00
      0.3640000              1.0000000
****
Br     0
S   1   1.00
      1.1590000              1.0000000
S   1   1.00
      0.7107000              1.0000000
S   1   1.00
      0.1905000              1.0000000
P   1   1.00
      2.6910000              1.0000000
P   1   1.00
      0.4446000              1.0000000
P   1   1.00
      0.1377000              1.0000000
P   1   1.00
      0.0376000              1.0000000
D   1   1.00
      0.4340000              1.0000000
****
K     0 
S   1   1.00
      3.0720000              1.0000000        
S   1   1.00
      0.6752000              1.0000000        
S   1   1.00
      0.2545000              1.0000000        
S   1   1.00
      0.0529000              1.0000000        
S   1   1.00
      0.0209000              1.0000000        
P   1   1.00
      8.2330000              1.0000000        
P   1   1.00
      0.9526000              1.0000000        
P   1   1.00
      0.3013000              1.0000000        
P   1   1.00
      0.0376000              1.0000000        
P   1   1.00
      0.0140000              1.0000000        
****
C H O B 0
6-311++g**
****

CU     0
CU-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
P     0
P-ECP     2     10
d-ul potential
  5
1    462.1211423            -10.0000000
2     93.6863701            -79.4864658
2     21.2349094            -28.3668251
2      6.3388415             -9.8577589
2      2.0620684             -1.0163783
s-ul potential
  5
0     78.0831823              3.0000000
1     58.9576810             12.9104154
2     36.0571255            150.0250298
2     11.2464453             71.7083146
2      2.6757561             23.0397012
p-ul potential
  6
0     75.1617880              5.0000000
1     57.4544041              6.3446507
2     47.9481748            198.5585104
2     18.4588360            111.1470820
2      5.9414190             40.3944144
2      1.8487507              6.4483233
BR     0
BR-ECP     3     28
f-ul potential
  4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-ul potential
  4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-ul potential
  5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-ul potential
  5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270
K     0
K-ECP     2     10
d-ul potential
  5
1   1067.1081575            -10.0000000        
2    218.4185142           -124.3469306        
2     50.0433502            -43.9937468        
2     14.9374500            -16.5946158        
2      5.0996937             -1.8728686        
s-ul potential
  3
0     16.5503988              3.0000000        
1     19.1641591             10.4828609        
2      4.8910684             45.4561569        
p-ul potential
  5
0     95.3645855              5.0000000        
1    119.1209062              5.5748307        
2     57.0795815            309.6493189        
2     17.4450910            125.5951809        
2      4.4636131             23.1977649        




