%nprocshared=24
%mem=16gB
%chk=smd-na-c5-ts4-3-1.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran) 

***

0 1
 Cu                -1.16163000   -0.24768400   -0.24211100
 C                 -3.24257700    2.31721600    1.69577400
 P                  1.94302900    1.02008300   -0.57379700
 P                 -0.10059100   -1.97214800    1.12752500
 C                  1.18434500   -1.58520300    2.40302100
 C                  3.03512800   -0.78539600    4.36288800
 C                  0.76701500   -0.88756600    3.54710400
 C                  2.54193000   -1.88968700    2.26855500
 C                  3.45793700   -1.49118400    3.24049100
 C                  1.68235100   -0.48818000    4.51602800
 H                  2.90020800   -2.43718600    1.40554700
 H                  4.50941600   -1.73096500    3.11150800
 H                  3.75326500   -0.47139800    5.11468800
 C                  3.48747100    1.54567700    0.30010200
 C                  5.72644800    2.30445200    1.81085600
 C                  4.71799400    1.79113800   -0.32296700
 C                  3.40216300    1.67078300    1.69085800
 C                  4.51141300    2.05493800    2.44245600
 C                  5.82910800    2.16756700    0.42631700
 H                  2.46280700    1.45923100    2.19455400
 H                  4.42346100    2.14829300    3.52109300
 H                  6.59523600    2.59645600    2.39440200
 C                  2.63378300    0.09268900   -2.00933600
 C                  3.64210100   -1.52625200   -4.06438300
 C                  3.11623500    0.65988400   -3.19012400
 C                  2.66133000   -1.29680100   -1.90008700
 C                  3.17309600   -2.12294600   -2.89618800
 C                  3.61452400   -0.14269300   -4.21487700
 H                  3.08937200    1.73851100   -3.31864000
 H                  3.98056200    0.31211800   -5.13035900
 H                  4.02820100   -2.15588400   -4.86216900
 C                  0.59132400   -3.35712300    0.12289000
 C                  1.44479200   -5.26237500   -1.75761200
 C                  0.02601800   -4.63523200    0.09141000
 C                  1.59724000   -3.07598400   -0.80630500
 C                  2.04756300   -4.00696800   -1.73985200
 C                  0.44682100   -5.58008000   -0.84144300
 H                 -0.76654400   -4.89409500    0.78539800
 H                 -0.01325000   -6.56326400   -0.85651100
 H                  1.77088700   -5.99630000   -2.49007900
 C                 -1.34873100   -2.84953800    2.16373700
 C                 -3.34112600   -4.14465200    3.64496900
 C                 -2.69789300   -2.66092900    1.85664600
 C                 -1.00476000   -3.70032100    3.22242600
 C                 -1.99553200   -4.34273500    3.95788900
 C                 -3.69213800   -3.30521900    2.59167900
 H                 -2.97130600   -2.00211200    1.03834300
 H                  0.04055100   -3.86308800    3.47028000
 H                 -1.71793800   -5.00050900    4.77661900
 H                 -4.73730800   -3.14367600    2.34340200
 H                 -4.11257500   -4.64551100    4.22298800
 C                  1.39411100    2.57185200   -1.42128600
 C                  0.26644400    4.84261900   -2.63474900
 C                  2.01772700    3.82086600   -1.30597600
 C                  0.19898200    2.46608200   -2.15843200
 C                 -0.35861100    3.59585900   -2.75581500
 C                  1.45887500    4.95086700   -1.91543800
 H                  2.94204000    3.92099900   -0.74443800
 H                 -0.26074100    1.47680700   -2.26964400
 H                 -1.28425400    3.50411700   -3.31691400
 H                  1.95598000    5.91234200   -1.82390800
 H                 -0.16953200    5.72048100   -3.10236200
 H                 -0.28792200   -0.66918000    3.69754600
 H                  4.81482100    1.67911500   -1.39915300
 H                  1.33473100    0.05183900    5.39195200
 H                  6.77782800    2.35087800   -0.07043000
 O                  2.16906000   -1.83464500   -0.73926200
 C                  3.17330100   -3.61448000   -2.66639500
 C                 -2.20993900    1.42618700    2.38612600
 H                 -2.12587500    1.67713400    3.44897300
 H                 -2.52155500    0.37524600    2.35125500
 C                 -0.86094600    1.50910800    1.73797400
 H                 -0.06214600    0.85989400    2.06872800
 H                 -0.74714200    1.88774500    0.73604400
 O                 -0.45954600   -0.67172700   -2.09100900
 C                 -1.08434600   -1.31709600   -3.13457100
 C                 -1.65820100   -2.68183300   -2.69483800
 C                 -2.24342300   -0.48202500   -3.72744200
 C                 -0.05881300   -1.56965400   -4.26094600
 H                 -0.85192800   -3.33558900   -2.34415500
 H                 -2.36251900   -2.53835800   -1.86376700
 H                 -2.18915000   -3.20082900   -3.50637900
 H                 -1.88043700    0.51741500   -4.00186700
 H                 -2.67590300   -0.94317400   -4.62696100
 H                 -3.04928800   -0.35957500   -2.99607800
 H                 -0.51162700   -2.02162600   -5.15511100
 H                  0.41364200   -0.62332600   -4.55151200
 H                  0.72914600   -2.23967700   -3.90284500
 H                 -4.24585700    1.98241200    1.98182400
 H                 -3.14117700    3.34810300    2.05962200
 C                 -3.11351500    2.29180100    0.16523500
 H                 -4.01445100    2.77817300   -0.24784900
 H                 -2.29165000    2.95726000   -0.15119000
 C                 -2.86968400    0.91075500   -0.44119800
 H                 -2.75846500    1.06584300   -1.52149900
 C                 -4.09625300   -0.01752700   -0.22051900
 H                 -3.92322000   -0.97957500   -0.72309900
 H                 -4.22542200   -0.23870900    0.84910600
 B                 -5.41301200    0.62282700   -0.78495400
 O                 -6.33891900    1.29335100   -0.01669800
 O                 -5.73229600    0.63900600   -2.12416200
 C                 -7.38838000    1.74909300   -0.87141800
 H                 -8.30728300    1.20474500   -0.62828900
 H                 -7.56060800    2.81528900   -0.69882900
 C                 -6.89278100    1.45093500   -2.30042000
 H                 -6.61075400    2.36180000   -2.83988600
 H                 -7.63047100    0.90769900   -2.89769700
 H                  4.13223200   -3.91862700   -2.22222000
 H                  3.08613000   -4.14743500   -3.61875400
 Br                 0.11213800    3.45524900    2.72928600
 Na                -0.34428800    4.39033500    0.13144900

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 Na 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










