%nprocshared=8
%mem=23gB
%chk=smd-s1c5-ts4fgvo.chk
#p  wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.37494600    1.19622300   -0.35633400
 C                  3.02413200    0.84093900    1.65681400
 P                 -1.01135400   -1.83695900   -0.70441500
 P                 -2.20544700    1.53154800    1.09896400
 C                 -2.65109300    0.38192600    2.48031700
 C                 -3.10434100   -1.42727300    4.58435400
 C                 -1.78512300    0.32724700    3.58110400
 C                 -3.75635600   -0.47358700    2.46006000
 C                 -3.97714100   -1.37380100    3.50148400
 C                 -2.00810700   -0.56645200    4.62427900
 H                 -4.45697400   -0.44839600    1.63338100
 H                 -4.83747500   -2.03584000    3.46203800
 H                 -3.27853200   -2.13055400    5.39367100
 C                 -1.45103500   -3.32505300    0.31341800
 C                 -2.12651300   -5.46097800    2.00644600
 C                 -1.86066700   -4.55655700   -0.21675300
 C                 -1.41188500   -3.17727800    1.70321800
 C                 -1.74190000   -4.23790000    2.54644100
 C                 -2.19112100   -5.61708800    0.62102500
 H                 -1.14698900   -2.21651400    2.13459500
 H                 -1.70575000   -4.09877300    3.62307600
 H                 -2.38846800   -6.28835500    2.66013200
 C                 -2.33812900   -1.92332600   -1.99199200
 C                 -4.42084400   -1.85578000   -3.87424500
 C                 -2.26692000   -2.67507100   -3.16684800
 C                 -3.48064600   -1.14955200   -1.79166200
 C                 -4.53228500   -1.10942100   -2.70364400
 C                 -3.29600300   -2.64042700   -4.10576600
 H                 -1.38668500   -3.27811400   -3.36883700
 H                 -3.21469800   -3.22071600   -5.02011900
 H                 -5.22386400   -1.81922100   -4.60627700
 C                 -3.79691800    1.77822600    0.19387600
 C                 -5.97653900    2.14986900   -1.54119500
 C                 -4.50309400    2.98475000    0.17676300
 C                 -4.22486300    0.77042300   -0.67526000
 C                 -5.31426200    0.92489400   -1.53063000
 C                 -5.57907500    3.17385600   -0.68699200
 H                 -4.19609000    3.79858100    0.82517800
 H                 -6.10380000    4.12441300   -0.69465700
 H                 -6.81443000    2.29373700   -2.21878100
 C                 -2.05242300    3.12714400    2.01597700
 C                 -1.72634300    5.60458500    3.28259200
 C                 -1.10899100    4.04597200    1.54899700
 C                 -2.83567100    3.46428800    3.12719600
 C                 -2.67123900    4.69424800    3.75745200
 C                 -0.94664900    5.28027500    2.17557000
 H                 -0.49247600    3.78362000    0.69392200
 H                 -3.57758300    2.76354100    3.50078600
 H                 -3.28233600    4.94457800    4.62025900
 H                 -0.20594500    5.98182600    1.80197600
 H                 -1.59852700    6.56313800    3.77772600
 C                  0.40701800   -2.42562300   -1.74336400
 C                  2.47082000   -3.10260000   -3.52493600
 C                  0.98808300   -3.69803000   -1.70359900
 C                  0.89236100   -1.47881700   -2.66286600
 C                  1.91660300   -1.81804600   -3.54471700
 C                  2.00839400   -4.03865800   -2.59851600
 H                  0.63665200   -4.44048600   -0.99340500
 H                  0.40788600   -0.49699700   -2.69295000
 H                  2.27475700   -1.08274200   -4.26018300
 H                  2.43494100   -5.03810300   -2.57287800
 H                  3.25563000   -3.37159600   -4.22658700
 H                 -0.93186900    0.99933800    3.62930300
 H                 -1.93028900   -4.68691500   -1.29345300
 H                 -1.32386700   -0.58834400    5.46814200
 H                 -2.50716900   -6.56467000    0.19365400
 O                 -3.54751300   -0.42043800   -0.63099000
 C                 -5.72822900   -0.24834500   -2.38394800
 C                  1.87920400    0.56637200    2.62896200
 H                  2.23061900    0.67503800    3.66166400
 H                  1.08908400    1.31443300    2.46853400
 C                  1.17718200   -0.76438100    2.45683900
 H                  0.44863200   -0.95295200    3.24193800
 H                  0.69808100   -0.86006300    1.48190200
 O                 -1.20292500    0.89951100   -2.21264400
 C                 -1.34816300    1.85016800   -3.19121300
 C                 -1.89007600    3.18105000   -2.62080400
 C                 -0.00442900    2.15195400   -3.89969000
 C                 -2.35043900    1.33871100   -4.25078900
 H                 -2.86389400    3.01647900   -2.14515100
 H                 -1.20149700    3.56027600   -1.85290100
 H                 -2.00999700    3.96059200   -3.38793700
 H                  0.40796900    1.23127300   -4.33418200
 H                 -0.10235100    2.89159500   -4.70805900
 H                  0.72338100    2.53732000   -3.17538200
 H                 -2.46964100    2.02686600   -5.10078800
 H                 -2.01660600    0.36630200   -4.63376000
 H                 -3.33333900    1.19373300   -3.78762900
 H                  3.39638300    1.85601800    1.83950200
 H                  3.85802700    0.16817300    1.90460300
 C                  2.68051200    0.68996400    0.17028800
 H                  3.65055700    0.75528300   -0.36645100
 H                  2.29891600   -0.33010800    0.00890300
 C                  1.63267700    1.64774000   -0.41974200
 H                  1.74096800    1.51807200   -1.50981900
 C                  2.00385400    3.13237900   -0.13295600
 H                  1.28411200    3.77087000   -0.67076600
 H                  1.86243500    3.37062700    0.93194100
 B                  3.42872600    3.61673900   -0.58241100
 O                  4.41000500    4.07222100    0.27518900
 O                  3.82294500    3.69508300   -1.90353000
 C                  5.53872900    4.48115700   -0.49720900
 H                  5.81734800    5.50133300   -0.21719100
 H                  6.38340400    3.81941500   -0.27901000
 C                  5.07317400    4.37870600   -1.96270900
 H                  5.77024400    3.81681300   -2.59088600
 H                  4.91710900    5.36393700   -2.41606700
 H                 -6.47781000   -0.84518100   -1.84389900
 H                 -6.20808200    0.09903400   -3.30467000
 K                  3.71141300   -2.21303500   -0.77997600
 O                  5.98873700   -1.02750000   -0.70833500
 C                  6.51573500   -0.41837600    0.47143000
 C                  6.50888000   -0.27338100   -1.80183500
 C                  6.53542300    1.09278900    0.19179900
 H                  5.87763700   -0.70664700    1.31106100
 H                  7.52808100   -0.80446500    0.65369200
 C                  6.42630900    1.18514400   -1.34871600
 H                  7.54843100   -0.57605500   -1.99358500
 H                  5.90863200   -0.49983200   -2.68730100
 H                  7.45492700    1.54604700    0.57117200
 H                  5.68975300    1.59534500    0.66870200
 H                  7.22030300    1.78941000   -1.79505800
 H                  5.46426100    1.61565900   -1.64045300
 I                  2.47874300   -2.52040200    2.59608500

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        







