%mem=24000MB
%nproc=20
%chk=Ts_4_D2
#p SCRF(SMD,Solvent=toluene) UB3LYP/genecp EmpiricalDispersion=GD3 nosymm freq 
# scf(maxcyc=400,XQC) gfinput gfprint pop=full  

First State

0 3
 Cu                -4.45131600   -2.74515900    1.21261400
 N                 -4.35844300   -3.05462100    3.47434300
 N                 -5.04138400   -4.70823200    1.15227800
 N                 -6.42465600   -2.30880500    1.28857600
 N                 -5.47849000   -3.61162900    4.02115700
 C                 -3.42225200   -3.02504400    4.42498600
 N                 -5.98721900   -5.11318100    2.05220500
 C                 -4.66053200   -5.77296900    0.43983300
 N                 -7.17497900   -2.91939000    2.25429700
 C                 -7.21679300   -1.44790800    0.63366100
 B                 -6.59145700   -4.10352100    3.06766800
 C                 -5.25663900   -3.92104900    5.32867400
 C                 -3.95255400   -3.54590900    5.62647800
 C                 -2.04049500   -2.53148800    4.12081900
 C                 -6.20269300   -6.44560000    1.90945700
 C                 -5.37669700   -6.89923100    0.88708600
 C                 -3.64915400   -5.64098800   -0.65534400
 C                 -8.44079200   -2.43577000    2.21822000
 C                 -8.50211300   -1.49282700    1.19738100
 H                 -7.46372800   -4.62722800    3.69512600
 C                 -6.29062300   -4.54696800    6.21167500
 C                 -7.17369800   -7.21073800    2.75297500
 C                 -9.51981000   -2.90062900    3.14444500
 H                 -1.85057700   -1.53410800    4.54008300
 H                 -1.28934400   -3.20434700    4.55059400
 H                 -1.89671800   -2.50595800    3.03609000
 H                 -5.90342500   -4.63341400    7.23130000
 H                 -7.20972300   -3.95085100    6.24835000
 H                 -6.56722100   -5.55109300    5.86894800
 H                 -9.23570800   -2.76904900    4.19441800
 H                -10.43286600   -2.32603100    2.96414700
 H                 -8.19295000   -6.81906300    2.65693700
 H                 -9.75001100   -3.96213300    2.99869900
 H                 -6.90782900   -7.17207800    3.81593200
 H                 -7.18193600   -8.26030500    2.44478400
 C                 -6.71037400   -0.60650800   -0.49244600
 H                 -7.51720000   -0.38701300   -1.19895100
 H                 -6.31387800    0.35209200   -0.13812300
 H                 -5.90765500   -1.11543900   -1.03242500
 H                 -4.13739600   -5.50737000   -1.62992600
 H                 -3.01445400   -4.77170500   -0.46131900
 H                 -3.02373000   -6.53806300   -0.71965400
 H                 -5.30237300   -7.91278200    0.51793900
 H                 -9.36827500   -0.92118100    0.89493400
 H                 -3.45164000   -3.64905300    6.57956400
 C                 -6.00834300    0.58690200    9.62008700
 C                 -6.45742200    1.68854400    8.88908600
 C                 -6.60230500    1.59831900    7.50206300
 C                 -6.30263100    0.41015600    6.82352600
 C                 -5.84734700   -0.68887300    7.56871100
 C                 -5.70220300   -0.60339200    8.95359800
 H                 -5.89890100    0.65379500   10.69944300
 H                 -6.69867900    2.61851100    9.39807600
 H                 -6.95646400    2.45951100    6.93919800
 H                 -5.59803100   -1.61361100    7.05262900
 H                 -5.35243000   -1.46697700    9.51420400
 C                 -6.42497600    0.30693000    5.31948500
 H	           -7.10084200    1.08357300    4.93946500
 H(Iso=2)          -6.87341600   -0.65949100    5.05361800
 C                 -5.06313900    0.41318800    4.60521100
 H                 -4.62708700    1.40608900    4.77945800
 H                 -4.37835200   -0.32030700    5.04972900
 C                 -5.19906400    0.11788300    3.11022800
 H	           -5.83370800    0.85999700    2.61109400
 H                 -5.67554000   -0.85433100    2.99289100
 C                 -3.83067800    0.07081500    2.39861500
 H                 -3.13179000   -0.48907900    3.03265500
 H                 -3.42233600    1.07415800    2.23934200
 N                 -3.90978100   -0.69646800    1.17267400
 F                 -2.65137600   -3.08813000    0.89876900
 S                 -3.25046800    0.06278300   -0.24507500
 O                 -3.88171700    1.38931700   -0.33552600
 O                 -3.40653200   -0.91050700   -1.32646800
 C                 -1.53732700    0.25150000    0.19241800
 C                 -1.02008100    1.53719500    0.37587400
 C                 -0.75471600   -0.89678800    0.35952800
 C                  0.32234300    1.66963500    0.72076000
 H                 -1.65491400    2.40658100    0.24278100
 C                  0.58196200   -0.73355300    0.71167300
 H                 -1.21003800   -1.87946400    0.26986200
 C                  1.14165200    0.54204400    0.89185500
 H                  0.74157400    2.66261400    0.86079900
 H                  1.20118300   -1.61491200    0.85695100
 C                  2.60022000    0.69952000    1.23988400
 H                  3.21024000    0.75406000    0.32808900
 H                  2.78220600    1.61737400    1.80894900
 H                  2.96788400   -0.14859700    1.82710200

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
****
N C H B F S O 0
6-31G*
****

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





