%nprocshared=8
%mem=23gB
%chk=smd-s1c5-ts4rgvo.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 Cu                -0.27129400    1.06472400    0.00478900
 C                  3.13037800    1.01948300    1.45130000
 P                 -0.90310500   -1.34770700   -1.42252300
 P                 -2.45992200    0.65334500    1.54652700
 C                 -2.60169900   -1.04172000    2.26734100
 C                 -2.56072800   -3.65969400    3.28147300
 C                 -1.67082400   -1.41766600    3.24738200
 C                 -3.51714100   -1.99659100    1.81308800
 C                 -3.49430700   -3.29515000    2.31591100
 C                 -1.65077600   -2.71500800    3.74979400
 H                 -4.25604800   -1.73823200    1.06401000
 H                 -4.20919500   -4.02402500    1.94544200
 H                 -2.53889400   -4.67538500    3.66545800
 C                 -1.15505100   -3.06622700   -0.80311500
 C                 -1.43073900   -5.63276100    0.29141300
 C                 -2.09039300   -3.96359600   -1.32735200
 C                 -0.36972400   -3.46732300    0.28619600
 C                 -0.49366100   -4.74612700    0.81908400
 C                 -2.23307100   -5.23607600   -0.77623800
 H                  0.34515300   -2.77884300    0.72953200
 H                  0.13230000   -5.03783600    1.65729600
 H                 -1.54081200   -6.62622200    0.71702700
 C                 -2.22936900   -1.14880500   -2.68050800
 C                 -4.35053200   -0.58937300   -4.42517300
 C                 -2.09244600   -1.35999500   -4.05330100
 C                 -3.45544600   -0.67142100   -2.21794100
 C                 -4.52965900   -0.39368200   -3.05717400
 C                 -3.14459100   -1.07617900   -4.92225900
 H                 -1.15387500   -1.73304100   -4.45178800
 H                 -3.02092500   -1.23354800   -5.98929700
 H                 -5.16836100   -0.36072500   -5.10385700
 C                 -4.11786500    1.02689200    0.83572300
 C                 -6.40679900    1.77405600   -0.60436500
 C                 -5.00206200    1.97922800    1.34939800
 C                 -4.42875300    0.45783000   -0.40217800
 C                 -5.55972000    0.80429600   -1.13645400
 C                 -6.13827200    2.35045500    0.63385300
 H                 -4.79216000    2.45459200    2.30200800
 H                 -6.81173900    3.09821800    1.04113500
 H                 -7.28909600    2.07144000   -1.16539400
 C                 -2.41109000    1.70015300    3.05908100
 C                 -2.22058600    3.36449800    5.30161400
 C                 -1.55846200    2.80703500    3.05178700
 C                 -3.16898900    1.43236600    4.20653400
 C                 -3.07421700    2.26071500    5.31998200
 C                 -1.46354300    3.63908500    4.16611700
 H                 -0.96250500    3.01748000    2.16836300
 H                 -3.83289500    0.57239700    4.22873000
 H                 -3.66355200    2.04337600    6.20617000
 H                 -0.79167900    4.49257500    4.14781000
 H                 -2.14533000    4.00666000    6.17449600
 C                  0.58154900   -1.52579000   -2.51074400
 C                  2.88124400   -1.56357000   -4.12020300
 C                  1.18137400   -2.74120900   -2.85956200
 C                  1.13882700   -0.32771600   -2.98561500
 C                  2.27841400   -0.34815500   -3.78640600
 C                  2.32684400   -2.75935500   -3.66108500
 H                  0.75841600   -3.67841800   -2.50897900
 H                  0.64604700    0.61295700   -2.73694100
 H                  2.69507500    0.58477300   -4.15497100
 H                  2.78217700   -3.70951600   -3.92726300
 H                  3.77275300   -1.57874200   -4.74080400
 H                 -0.96138100   -0.69058000    3.63500400
 H                 -2.71277600   -3.67239800   -2.16892400
 H                 -0.91779500   -2.98685500    4.50350300
 H                 -2.96876800   -5.92143100   -1.18832700
 O                 -3.56106300   -0.49571800   -0.86319100
 C                 -5.81833200    0.11052900   -2.45290700
 C                  1.87577900    0.49951700    2.17138300
 H                  2.15911100   -0.29978100    2.86877800
 H                  1.41228600    1.28542900    2.78202000
 C                  0.87159200   -0.03457600    1.18241100
 H                  0.06945600   -0.59302300    1.66806700
 H                  1.34291400   -0.70616000    0.45585700
 O                 -1.13165600    1.76515700   -1.56082100
 C                 -1.62744000    2.98022800   -1.99842800
 C                 -2.34769000    3.74785800   -0.87454200
 C                 -0.50521800    3.87137800   -2.57475400
 C                 -2.64594600    2.70655000   -3.12228900
 H                 -3.19064100    3.15915700   -0.49767500
 H                 -1.66483200    3.93280100   -0.03623400
 H                 -2.73461500    4.71799400   -1.21521600
 H                  0.03263400    3.32750200   -3.36236300
 H                 -0.89835200    4.79905700   -3.01243500
 H                  0.22010200    4.15150700   -1.80348300
 H                 -3.01432300    3.63160400   -3.58650300
 H                 -2.18578400    2.08439000   -3.89945900
 H                 -3.50605100    2.16114800   -2.72106800
 H                  3.54933700    1.87986700    1.98342300
 H                  3.91165900    0.24915200    1.44572400
 C                  2.80019500    1.41848200    0.00717300
 H                  3.57734600    2.09699500   -0.37143700
 H                  2.83055500    0.56165900   -0.67194600
 C                  1.45841400    2.08956700   -0.15017400
 H                  1.24710800    2.27552300   -1.20314200
 C                  1.30722500    3.35918000    0.67966500
 H                  0.37527500    3.87443000    0.42658400
 H                  1.28487800    3.13711100    1.75236000
 B                  2.54220900    4.29742600    0.38283500
 O                  3.53996700    4.54299700    1.29084600
 O                  2.77138000    4.87683200   -0.83888600
 C                  4.58969400    5.23641500    0.60765000
 H                  4.91464400    6.08901700    1.20869300
 H                  5.43551500    4.55171400    0.48051900
 C                  3.96979700    5.65423000   -0.73743400
 H                  4.61791700    5.43431500   -1.58958600
 H                  3.70464300    6.71629200   -0.76112100
 H                 -6.50453700   -0.73302300   -2.29041800
 H                 -6.32171300    0.79143800   -3.14707100
 K                  3.61646900   -1.94378700   -0.89176700
 O                  5.43553800   -0.08830000   -1.13955400
 C                  6.48344500    0.18597100   -0.21118000
 C                  5.48360000    0.92687100   -2.14468900
 C                  6.47665300    1.70409700   -0.06654800
 H                  6.26439800   -0.35289300    0.71418400
 H                  7.44126600   -0.17395300   -0.61510300
 C                  6.09908500    2.17832700   -1.48393500
 H                  6.09570800    0.57721200   -2.98633300
 H                  4.46203400    1.08437700   -2.49979800
 H                  7.44190300    2.09200300    0.26876300
 H                  5.71611300    2.00326500    0.66069700
 H                  6.98001300    2.51047500   -2.03985200
 H                  5.38769900    3.00900700   -1.45732900
 I                  3.55460500   -3.40950800    2.17420700

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        







