%nprocshared=24
%mem=120gB
%chk=smd-s1c5-ts4-1.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.05297900    1.19275900   -0.13018700
 C                  3.28117800    0.37147300    1.58876000
 P                 -1.19608800   -1.74285100   -1.00358000
 P                 -2.02438000    1.46188800    1.28953500
 C                 -2.70710900    0.14683700    2.39799000
 C                 -3.53328200   -1.97797500    4.04198200
 C                 -1.95229800   -0.23177100    3.51871500
 C                 -3.89144800   -0.54533000    2.12757100
 C                 -4.29999000   -1.59873500    2.94369800
 C                 -2.35765300   -1.28702600    4.33020000
 H                 -4.50632500   -0.27103800    1.27809100
 H                 -5.22163600   -2.12574100    2.71398900
 H                 -3.85114300   -2.80268300    4.67340400
 C                 -1.90262300   -3.35909500   -0.44223200
 C                 -3.01755200   -5.71360200    0.59702500
 C                 -2.31862200   -4.38890400   -1.29722100
 C                 -2.06737600   -3.52317600    0.93636200
 C                 -2.61951700   -4.69355500    1.45570900
 C                 -2.86705000   -5.55910200   -0.78217400
 H                 -1.76662300   -2.72692800    1.61201500
 H                 -2.74197500   -4.80023200    2.52965400
 H                 -3.45109700   -6.62562600    0.99790900
 C                 -2.32869600   -1.33666500   -2.40384100
 C                 -4.14683400   -0.57818800   -4.39889300
 C                 -2.22877400   -1.85798200   -3.69503800
 C                 -3.35218000   -0.42357800   -2.15092800
 C                 -4.27956500   -0.04626600   -3.11856100
 C                 -3.12720900   -1.47974900   -4.69046400
 H                 -1.42802800   -2.55276600   -3.93286700
 H                 -3.03007800   -1.88846000   -5.69183800
 H                 -4.85107200   -0.27911800   -5.17123200
 C                 -3.48651800    2.09107300    0.35914000
 C                 -5.43586000    3.09225800   -1.39387200
 C                 -4.04951400    3.35380700    0.56282100
 C                 -3.94625900    1.34468700   -0.73002200
 C                 -4.91871100    1.81723400   -1.60884600
 C                 -5.01590200    3.85324500   -0.30698000
 H                 -3.71282800    3.96809800    1.39148000
 H                 -5.43438900    4.84109300   -0.14031900
 H                 -6.18210700    3.48285400   -2.08124200
 C                 -1.70520900    2.82585500    2.48851000
 C                 -1.08045700    4.95790200    4.19473800
 C                 -0.62303600    3.66594300    2.21257300
 C                 -2.47718500    3.06733600    3.63191500
 C                 -2.16355000    4.12583000    4.48014100
 C                 -0.31103800    4.72887500    3.05727100
 H                 -0.01800800    3.47868200    1.33032200
 H                 -3.32435200    2.42689900    3.86211100
 H                 -2.76552300    4.30282200    5.36693000
 H                  0.53609000    5.36920000    2.82768900
 H                 -0.83700000    5.78035000    4.86139000
 C                  0.32291400   -2.21475500   -1.94755500
 C                  2.72871100   -2.65315900   -3.32974700
 C                  0.86900300   -3.50011500   -2.02727500
 C                  0.99510100   -1.14559500   -2.56575100
 C                  2.19053400   -1.36581000   -3.24375500
 C                  2.06066700   -3.72008100   -2.72754500
 H                  0.36540400   -4.34025000   -1.55722700
 H                  0.54845900   -0.14682200   -2.51587300
 H                  2.70148700   -0.52940200   -3.71318600
 H                  2.46180700   -4.72824600   -2.80422600
 H                  3.65702700   -2.82441600   -3.86820700
 H                 -1.04415800    0.31023100    3.77369400
 H                 -2.21772000   -4.27470800   -2.37314800
 H                 -1.75451600   -1.56507300    5.18964200
 H                 -3.18468300   -6.34916200   -1.45702500
 O                 -3.43065600    0.08658700   -0.87991800
 C                 -5.37232100    0.92164800   -2.73599200
 C                  1.97022100    0.28847200    2.36956500
 H                  2.15118800   -0.05091700    3.39464800
 H                  1.51860400    1.28310200    2.46212800
 C                  0.95797900   -0.59389900    1.69640600
 H                 -0.06744400   -0.58981800    2.03578500
 H                  1.08544400   -0.89869100    0.66880300
 O                 -0.88908800    1.45256200   -1.96320300
 C                 -0.87373000    2.56877800   -2.76613700
 C                 -1.26991200    3.83802300   -1.98005100
 C                  0.51762900    2.81436000   -3.39761000
 C                 -1.88831900    2.38154100   -3.91565100
 H                 -2.28033000    3.72556300   -1.57051600
 H                 -0.57937000    3.97889000   -1.13744100
 H                 -1.24801600    4.74965100   -2.59531000
 H                  0.85942800    1.90549800   -3.91032400
 H                  0.50768300    3.63328500   -4.13136700
 H                  1.25492000    3.06527200   -2.62744600
 H                 -1.87456000    3.21082200   -4.63776100
 H                 -1.67097100    1.44978800   -4.45219900
 H                 -2.90074600    2.30186500   -3.50602700
 H                  3.86474000    1.21482800    1.97471700
 H                  3.88770700   -0.52637400    1.78046400
 C                  3.06554100    0.55242200    0.07968000
 H                  4.04055700    0.81985700   -0.35813500
 H                  2.81165300   -0.40839400   -0.39160600
 C                  1.97212400    1.54416700   -0.30165000
 H                  1.96550700    1.57338100   -1.39872700
 C                  2.31715700    2.97411200    0.19724300
 H                  1.57995600    3.68490100   -0.20278000
 H                  2.24128600    3.03420900    1.29361500
 B                  3.74730200    3.44557600   -0.24889000
 O                  4.86942800    3.40425400    0.55187900
 O                  4.02462800    3.92287200   -1.50990000
 C                  5.97047600    3.94531000   -0.17939700
 H                  6.30366800    4.86614000    0.31017700
 H                  6.79782300    3.22984800   -0.17127300
 C                  5.42079800    4.20141600   -1.59824200
 H                  5.87216000    3.54126600   -2.34665400
 H                  5.56367900    5.23676700   -1.92129200
 H                 -6.26501300    0.36250200   -2.41946800
 H                 -5.67130000    1.52192500   -3.60186300
 K                  3.48454300   -2.89105900   -0.13063500
 O                  5.65612300   -1.53217700   -0.43672500
 C                  6.64928000   -1.09140500    0.48674100
 C                  5.89318200   -0.85740300   -1.67568700
 C                  6.81558800    0.39532000    0.19393500
 H                  6.29012300   -1.31008300    1.49557000
 H                  7.58723200   -1.64054000    0.31602000
 C                  6.60007700    0.46869500   -1.33078800
 H                  6.51824600   -1.49006500   -2.31948300
 H                  4.92348700   -0.71343800   -2.16123700
 H                  7.79664400    0.76713300    0.50097500
 H                  6.04864100    0.97365100    0.71751300
 H                  7.55016300    0.54888000   -1.86607500
 H                  5.98400600    1.32806600   -1.60746300
 I                  1.39181300   -2.91352100    2.62560300

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
****
I     0 
S   1   1.00
      0.7242000              1.0000000        
S   1   1.00
      0.4653000              1.0000000        
S   1   1.00
      0.1336000              1.0000000        
P   1   1.00
      1.2900000              1.0000000        
P   1   1.00
      0.3180000              1.0000000        
P   1   1.00
      0.1053000              1.0000000        
P   1   1.00
      0.0308000              1.0000000        
D   1   1.00
      0.2940000              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
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        
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        







