%nprocshared=24
%mem=120000MB
%chk=smd-c4ts1.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.14230700    0.55019300   -0.39273000
 C                 -1.51773700    1.28737000   -1.74707000
 H                 -2.19096200    0.54799900   -2.18500800
 H                 -1.20040900    2.03868800   -2.47122800
 C                 -1.84331300    1.73824800   -0.40382600
 H                 -1.63577600    2.79171300   -0.20591600
 P                  1.85850700    1.50575200    0.26203300
 P                 -0.37644400   -1.62574500    0.44148300
 B                  0.17126800    0.11681600   -2.40002300
 O                 -0.21884500   -1.05818800   -3.03235400
 O                  1.15667300    0.75951200   -3.13472500
 C                  0.71719700   -1.33802400   -4.07379400
 H                  0.18980700   -1.71784800   -4.95294100
 H                  1.41845200   -2.10493800   -3.72287500
 C                  1.41197900    0.00473200   -4.32196100
 H                  0.98842000    0.53543900   -5.18328400
 H                  2.49129500   -0.09433100   -4.46508800
 C                  0.45807400   -2.25069000    4.95304300
 C                 -0.26180900   -0.87090700    3.11004200
 C                  0.47120400   -3.13541200    2.70691900
 C                  0.71266000   -3.29744400    4.06826000
 C                 -0.03397700   -1.03914900    4.47327400
 H                  0.66695000   -3.95735100    2.02379500
 H                  1.09904100   -4.24251700    4.43931400
 H                  0.64653200   -2.37934100    6.01507400
 C                  2.22158900    1.45683600    2.06610400
 C                  2.59521100    1.39732400    4.84038700
 C                  3.24885600    0.69474600    2.62309600
 C                  1.37516500    2.18444400    2.91370100
 C                  1.56933900    2.16620000    4.28983400
 C                  3.42757000    0.65807600    4.00580200
 H                  0.56031000    2.76894700    2.49205800
 H                  0.91383600    2.74518000    4.93414800
 H                  2.74139100    1.37285600    5.91646600
 C                  3.35126100    0.77664200   -0.53808900
 C                  5.35502100   -0.49160700   -2.04228700
 C                  4.34853000    1.52365100   -1.16863600
 C                  3.41379700   -0.61284000   -0.66088100
 C                  4.39048400   -1.26924900   -1.40513200
 C                  5.34332400    0.89496200   -1.91412200
 H                  4.33508600    2.60677200   -1.10099800
 H                  6.10532900    1.49126800   -2.40652900
 H                  6.12433900   -0.98035400   -2.63471100
 C                  0.69507800   -2.85195700   -0.41618900
 C                  2.45330400   -4.44698000   -1.91142700
 C                  0.25890300   -4.05233000   -0.97814300
 C                  2.03336400   -2.50051000   -0.59873800
 C                  2.92796300   -3.26771700   -1.33927600
 C                  1.13161600   -4.84374000   -1.72291900
 H                 -0.77419300   -4.36119500   -0.85331800
 H                  0.77532100   -5.76974300   -2.16360700
 H                  3.12868100   -5.06052300   -2.50219800
 C                 -2.07285400   -2.29924300    0.20938300
 C                 -4.75107500   -2.99276500   -0.22409600
 C                 -2.61924600   -2.25028100   -1.08185300
 C                 -2.87807700   -2.70476700    1.27596000
 C                 -4.21271900   -3.04596500    1.05878600
 C                 -3.94773100   -2.60118900   -1.29616700
 H                 -1.99851400   -1.92757700   -1.91467200
 H                 -2.47372400   -2.74464800    2.28294100
 H                 -4.83140600   -3.35268400    1.89739700
 H                 -4.36170300   -2.55757500   -2.29957700
 H                 -5.79235100   -3.25377600   -0.39021000
 C                  2.02123500    3.29079800   -0.14582600
 C                  2.19214200    5.97993200   -0.89515200
 C                  2.79059200    4.18537000    0.60566600
 C                  1.34344600    3.75422700   -1.27818500
 C                  1.43135800    5.09243600   -1.65329600
 C                  2.87219600    5.52466600    0.23309800
 H                  3.32619400    3.83905900    1.48484700
 H                  0.75769900    3.05871600   -1.87216700
 H                  0.90145000    5.44175300   -2.53477400
 H                  3.46948400    6.21213300    0.82513300
 H                  2.25587700    7.02575000   -1.18192600
 H                 -0.62399900    0.08100800    2.72918400
 H                  3.91796600    0.12476100    1.98558700
 H                 -0.22708100   -0.21880200    5.15771700
 H                  4.22592600    0.05399300    4.42720200
 O                  2.45066700   -1.33625800   -0.00210000
 C                  4.35160400   -2.77836700   -1.46358000
 C                 -3.09190500    1.19764400    0.26538400
 H                 -3.12371600    0.10632900    0.16757600
 H                 -3.06630500    1.40642900    1.34381100
 C                 -0.01689900   -1.91920700    2.21849600
 C                 -4.40522000    1.75870600   -0.31515500
 H                 -4.45406100    2.84315800   -0.16028800
 H                 -4.42700900    1.57998000   -1.39684100
 C                 -5.59789900    1.08437800    0.33437700
 H                 -5.64976900    1.27454500    1.40764500
 H                 -5.59989800    0.00671500    0.15969600
 Br                -7.32610700    1.73410300   -0.39438300
 H                  4.80318700   -3.13938700   -2.39287900
 H                  4.95209400   -3.19081200   -0.64002600

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
****
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



