%nprocshared=24
%mem=120gb
%chk=smd-sps1c5-ts4.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.24624200    0.97731600   -0.76265800
 C                  2.98919000    2.03913000    1.14119400
 P                 -0.70897800   -2.25472200    0.12543500
 P                 -2.51756300    1.32708000    0.09215800
 C                 -3.27820600    0.59245300    1.61880300
 C                 -4.28757000   -0.57039000    3.97863800
 C                 -2.71743900    0.88464200    2.86941400
 C                 -4.36807400   -0.28417300    1.57895800
 C                 -4.86151700   -0.86453400    2.74532900
 C                 -3.21470300    0.31528200    4.03748100
 H                 -4.85213900   -0.51817900    0.63861700
 H                 -5.70289000   -1.54884400    2.68495900
 H                 -4.67643300   -1.02326900    4.88603700
 C                 -1.31728400   -3.41381100    1.43686700
 C                 -2.35787800   -5.00550000    3.49950200
 C                 -1.42616600   -4.80263300    1.28166900
 C                 -1.75060500   -2.83615000    2.63396700
 C                 -2.26613400   -3.62642700    3.66074900
 C                 -1.93675200   -5.59365400    2.30595700
 H                 -1.68334200   -1.76042200    2.76581800
 H                 -2.60109400   -3.15833400    4.58200200
 H                 -2.76217200   -5.62331300    4.29675000
 C                 -1.56200100   -2.97516700   -1.35013200
 C                 -3.03461400   -3.93117700   -3.54092800
 C                 -1.11309000   -4.07194600   -2.08927100
 C                 -2.75280000   -2.37311600   -1.75264000
 C                 -3.51229400   -2.83801400   -2.82287600
 C                 -1.83943800   -4.54656000   -3.17995200
 H                 -0.17601700   -4.55249200   -1.82248500
 H                 -1.47104400   -5.39582100   -3.74762600
 H                 -3.60321000   -4.29628500   -4.39255400
 C                 -3.77523000    0.98193400   -1.21169300
 C                 -5.43493500    0.34496100   -3.38256000
 C                 -4.54216400    1.96866400   -1.83612800
 C                 -3.88239300   -0.32439300   -1.69404200
 C                 -4.71283400   -0.66899700   -2.75811300
 C                 -5.35958400    1.65550000   -2.91970700
 H                 -4.48737000    2.99595200   -1.49128500
 H                 -5.93653900    2.43786500   -3.40328600
 H                 -6.07146100    0.09808700   -4.22861200
 C                 -2.75752800    3.13889200    0.34488200
 C                 -3.00908500    5.91874100    0.58003100
 C                 -1.96947100    3.99407100   -0.43518200
 C                 -3.67857400    3.69272500    1.23901200
 C                 -3.79651400    5.07547900    1.36185000
 C                 -2.09854700    5.37589400   -0.32497900
 H                 -1.24702300    3.57376100   -1.13264600
 H                 -4.30541700    3.04638700    1.84624900
 H                 -4.50953000    5.49348700    2.06678300
 H                 -1.47973100    6.02569900   -0.93713000
 H                 -3.10477300    6.99632900    0.67760100
 C                  1.01454300   -2.82575300   -0.22649400
 C                  3.66404000   -3.44847900   -0.91570900
 C                  1.71404900   -3.81370600    0.47430100
 C                  1.65650900   -2.14663200   -1.27709900
 C                  2.97121600   -2.45579600   -1.61415600
 C                  3.03219800   -4.12845700    0.12512500
 H                  1.23570700   -4.34970800    1.28931000
 H                  1.09056300   -1.39349900   -1.83496600
 H                  3.45489700   -1.92481300   -2.42966500
 H                  3.55968100   -4.91031800    0.66631400
 H                  4.68801400   -3.69212600   -1.18345900
 H                 -1.89788300    1.58911700    2.95184200
 H                 -1.11780400   -5.27154100    0.35118500
 H                 -2.75649500    0.56380400    4.99015700
 H                 -2.01593400   -6.66876400    2.17017000
 O                 -3.17354700   -1.28638100   -1.02979300
 C                 -4.79579300   -2.12081300   -3.16286700
 C                  0.81301100    1.01103100    1.81710500
 H                 -0.23294000    1.06328000    2.07456000
 H                  1.06950900    0.20926100    1.14815400
 O                 -0.67559000   -0.11605800   -2.43461000
 C                 -0.66571800    0.26301900   -3.75809500
 C                 -1.35088900    1.63204600   -3.96025700
 C                  0.76738900    0.35063800   -4.33890500
 C                 -1.43310200   -0.77821700   -4.60265400
 H                 -2.39054900    1.58090700   -3.61644100
 H                 -0.83586900    2.39797600   -3.36524400
 H                 -1.35202000    1.96025100   -5.01011900
 H                  1.29218900   -0.60047500   -4.17627100
 H                  0.76591700    0.55280600   -5.41982500
 H                  1.34727900    1.14226100   -3.85534800
 H                 -1.38801900   -0.56261500   -5.68016100
 H                 -1.01136600   -1.77604700   -4.43183200
 H                 -2.48603300   -0.80279400   -4.30605500
 H                  3.38152400    3.03232800    0.89302500
 H                  3.75695500    1.57809200    1.78364000
 C                  2.86470200    1.21896700   -0.14543800
 H                  3.83892900    1.30570100   -0.65796300
 H                  2.78531900    0.14785600    0.08948800
 C                  1.70730100    1.54517500   -1.08189300
 H                  1.79923600    0.82307900   -1.90059000
 C                  1.84750500    2.95448800   -1.72180800
 H                  1.11438100    3.05757100   -2.53303200
 H                  1.63031300    3.75493100   -1.00557300
 B                  3.30052500    3.14095700   -2.28504500
 O                  4.27474900    3.89474100   -1.66613600
 O                  3.77976700    2.48024200   -3.39499000
 C                  5.47051100    3.80346700   -2.44233700
 H                  5.65172600    4.76714300   -2.93087300
 H                  6.31625100    3.57938900   -1.78600300
 C                  5.19124500    2.67975500   -3.45576800
 H                  5.69386500    1.74435400   -3.18190700
 H                  5.48101900    2.94504200   -4.47616800
 H                 -5.63559000   -2.59717200   -2.63607600
 H                 -5.00940100   -2.20735800   -4.23327500
 Br                 1.15676400   -0.62515500    3.64958100
 K                  3.58400900   -1.56598200    1.78889800
 O                  5.87657200   -1.32041100    0.56417100
 C                  6.82874600   -2.39280800    0.52894200
 C                  6.08831600   -0.43652800   -0.54830000
 C                  7.47051700   -2.33690100   -0.85234700
 H                  7.57171200   -2.23552000    1.32156200
 H                  6.30463400   -3.33467700    0.72489700
 C                  7.43046400   -0.83653400   -1.15118600
 H                  5.26963500   -0.57038700   -1.26693700
 H                  6.06593500    0.59364300   -0.18012300
 H                  6.86327700   -2.88586900   -1.58091400
 H                  8.47951900   -2.75626700   -0.85657600
 H                  7.49010400   -0.60707900   -2.21809600
 H                  8.25074700   -0.32282400   -0.63789200
 C                  1.70040600    2.22526900    1.97660000
 C                  2.13224600    2.52162000    3.43792000
 C                  0.91516700    3.50210500    1.54690700
 C                  0.98675800    2.97896100    4.32923100
 H                  2.61928400    1.64858600    3.87813700
 H                  2.87189500    3.33173800    3.39050000
 C                 -0.13486100    3.96110900    2.54987100
 H                  0.43102700    3.33889400    0.58472100
 H                  1.64961700    4.30860200    1.42884900
 H                  0.22821700    2.18355300    4.41933000
 H                  1.35617100    3.20237000    5.33467500
 H                 -0.96378600    3.24070200    2.59696600
 H                 -0.55891000    4.91604600    2.22651400
 O                  0.39278200    4.16652700    3.84404200

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        








