%nprocshared=8
%mem=23gb
%chk=smd-spic5ts5fgvo.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.97762700   -1.07461600   -0.31839000
 C                 -3.61943600   -0.28968200   -2.73124400
 P                  1.57860100   -1.69159200   -0.63022700
 P                  0.51715100    2.09481600    0.55435800
 C                  1.82411100    3.23192800   -0.09589100
 C                  3.79105100    4.91298600   -1.17000900
 C                  2.39702600    2.94981100   -1.33887900
 C                  2.25914000    4.36126700    0.61033500
 C                  3.23361800    5.19739400    0.07744000
 C                  3.37402100    3.78874000   -1.87554100
 H                  1.82908000    4.58926600    1.58202200
 H                  3.55959200    6.07172700    0.63373800
 H                  4.55181700    5.56723800   -1.58648100
 C                  2.77122800   -0.81789000   -1.73159700
 C                  4.42024800    0.67142600   -3.44998800
 C                  4.01394400   -0.34799600   -1.29700500
 C                  2.36648600   -0.52948800   -3.04350600
 C                  3.18505600    0.20423500   -3.89732400
 C                  4.82983500    0.39403500   -2.14866700
 H                  1.40981000   -0.89467600   -3.40770700
 H                  2.85658600    0.41074000   -4.91209500
 H                  5.05829400    1.24935800   -4.11231200
 C                  2.58204200   -2.12087200    0.85264600
 C                  3.85654100   -2.73246500    3.27612300
 C                  3.04605700   -3.41246800    1.11090000
 C                  2.80479100   -1.14483700    1.82843500
 C                  3.43140600   -1.42661000    3.04061700
 C                  3.67972600   -3.71888100    2.31209200
 H                  2.89462900   -4.19540600    0.37537600
 H                  4.02389400   -4.73154500    2.49809600
 H                  4.33642400   -2.96879000    4.22244800
 C                  1.07871000    1.93664900    2.30850700
 C                  2.08694100    1.54194600    4.89723500
 C                  0.65152300    2.73614200    3.37158400
 C                  2.01253000    0.93388400    2.58679600
 C                  2.54856800    0.73725700    3.85806800
 C                  1.13959200    2.53317100    4.66018900
 H                 -0.08092300    3.51751000    3.19329200
 H                  0.78808900    3.15695400    5.47639600
 H                  2.48364600    1.39121100    5.89796800
 C                 -0.94850600    3.20330700    0.72619600
 C                 -3.38752500    4.59620400    0.76935600
 C                 -2.06498200    2.67929600    1.39314400
 C                 -1.07147400    4.44135500    0.09003500
 C                 -2.28430500    5.13110000    0.11058700
 C                 -3.27240500    3.36737400    1.41937000
 H                 -1.98779400    1.71636100    1.89091500
 H                 -0.22500900    4.87087100   -0.43715300
 H                 -2.36378500    6.08938200   -0.39504900
 H                 -4.12772100    2.93381300    1.92961900
 H                 -4.33283400    5.13106300    0.77670500
 C                  1.37793000   -3.33607900   -1.45132700
 C                  0.88775100   -5.82519700   -2.63961300
 C                  2.20312100   -3.80523700   -2.47763500
 C                  0.30969000   -4.13377900   -1.01370600
 C                  0.07071200   -5.37174700   -1.60454700
 C                  1.95563900   -5.04179800   -3.07122300
 H                  3.04326200   -3.20912500   -2.82095100
 H                 -0.30738000   -3.77497300   -0.18894300
 H                 -0.75727900   -5.98329600   -1.25608000
 H                  2.60329800   -5.39363400   -3.86942600
 H                  0.69642300   -6.78796600   -3.10520600
 H                  2.08572600    2.06684500   -1.89176000
 H                  4.35734300   -0.55989200   -0.28950900
 H                  3.80902500    3.55643300   -2.84293500
 H                  5.78915900    0.75596100   -1.78996500
 O                  2.39785200    0.13491900    1.53659400
 C                  3.61626000   -0.31191400    4.03921700
 C                 -1.13365000   -0.36078300   -2.14354200
 H                 -0.23142000    0.25303400   -2.05042100
 H                 -0.87032200   -1.28135500   -2.68203700
 O                 -0.63364900   -2.11278800    1.25292700
 C                 -1.05105500   -2.30157400    2.55921900
 C                 -1.07405900   -0.97705300    3.34230000
 C                 -2.44847700   -2.95231600    2.62985300
 C                 -0.04414600   -3.24706100    3.24281800
 H                 -0.08433000   -0.51029500    3.31284000
 H                 -1.78821100   -0.27497800    2.89507500
 H                 -1.35659800   -1.11866300    4.39423100
 H                 -2.45939300   -3.88206700    2.04686200
 H                 -2.73319600   -3.19529600    3.66245900
 H                 -3.21972400   -2.29026300    2.22216500
 H                 -0.32392200   -3.47182900    4.28117500
 H                  0.01801200   -4.19250400    2.69054500
 H                  0.95145800   -2.79192900    3.24824100
 H                 -4.32359100    0.40820100   -2.26091100
 H                 -4.04326400   -0.52295500   -3.71508200
 C                 -3.55004400   -1.56056000   -1.90135800
 H                 -4.56870900   -1.94681200   -1.74404500
 H                 -3.00336400   -2.34597700   -2.43699500
 C                 -2.93234700   -1.34844800   -0.54254100
 H                 -2.83057500   -2.29957600   -0.01623300
 C                 -3.59382800   -0.29707300    0.32610700
 H                 -3.05532000   -0.20372000    1.27688700
 H                 -3.55462200    0.69509000   -0.13072300
 B                 -5.08767100   -0.61381100    0.71862400
 O                 -5.95200800    0.36062600    1.14526000
 O                 -5.63653600   -1.86861400    0.72957400
 C                 -7.19953300   -0.25974900    1.47207300
 H                 -7.45013700   -0.03016600    2.51146300
 H                 -7.97927800    0.14999900    0.82336400
 C                 -6.96990900   -1.76904700    1.23966800
 H                 -7.66475000   -2.19194500    0.50897400
 H                 -7.03781000   -2.34805900    2.16516000
 H                  4.60469700    0.14950400    3.89985200
 H                  3.59626100   -0.70848900    5.05923500
 C                 -2.23316000    0.39984500   -2.88995500
 C                 -1.87599500    0.43144200   -4.40018900
 C                 -2.31405600    1.87518100   -2.43341700
 C                 -0.68554900    1.32964900   -4.71378200
 H                 -1.68580100   -0.58598400   -4.76650700
 H                 -2.73927400    0.82258600   -4.95534600
 C                 -1.12620400    2.71902300   -2.88786500
 H                 -2.39472300    1.94187200   -1.34247900
 H                 -3.22544000    2.32000500   -2.85464800
 H                  0.23437800    0.94284600   -4.24657500
 H                 -0.51450500    1.37899800   -5.79387900
 H                 -0.20677700    2.41138100   -2.36429400
 H                 -1.30021400    3.77261300   -2.65369100
 O                 -0.91910100    2.65730800   -4.28695200

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
****
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








