%chk=TTMCuNTs-Cl-oss-SP.chk
%nprocshared=12
%mem=24GB
#p b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm guess=read
pop=full empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

TTMCuNTs-Cl-oss-SP

0 1
 C                  0.10086204    0.80560188   -0.01977562
 C                  0.48550304   -0.14721312   -1.13106862
 C                  0.59082904    0.24646188    1.30573138
 C                  0.78580604    2.12910988   -0.30319462
 C                  1.30048304    2.58169288   -1.50181162
 H                  1.36902004    2.14101788   -2.48153562
 C                 -0.21532396   -0.57139912   -2.23614962
 H                 -1.22567296   -0.39974212   -2.57026362
 C                 -0.07981096   -0.04205112    2.47137538
 H                 -1.11282696    0.05104888    2.76527338
 N                  0.87941004   -0.51676112    3.30634338
 N                  1.82663204    3.78648888   -1.20642162
 N                  0.67943604   -1.32049012   -2.93235862
 N                  1.02569504    3.07412988    0.65253638
 N                  1.65645504    4.08012888    0.10315538
 N                  1.86490504   -1.36254512   -2.32478662
 N                  1.74720304   -0.64547512   -1.23728062
 N                  1.89827004   -0.08196312    1.50218838
 N                  2.07425904   -0.54935112    2.71489338
 Cu                 3.34677404   -0.04180312    0.00038138
 O                 -1.32260196    0.85700588   -0.03884962
 C                 -1.93130596    2.00928088    0.55221438
 H                 -1.77690596    2.90523288   -0.06021762
 H                 -2.99946996    1.78287288    0.59728838
 H                 -1.55763596    2.20409988    1.56358438
 C                  0.55203004   -1.87569412   -4.28889962
 H                  1.14825304   -2.79129312   -4.29996062
 H                 -0.49729196   -2.13853012   -4.43312862
 C                  2.59408204    4.67873288   -2.08893562
 H                  2.73214104    5.60303988   -1.52430362
 H                  3.56638604    4.21140888   -2.25656862
 C                  0.71467704   -1.05715412    4.66503638
 H                  1.68711904   -0.94697612    5.14997638
 H                 -0.00629696   -0.41906212    5.18000738
 C                  1.03000404   -0.88112912   -5.33067662
 C                  2.35754704   -0.42823512   -5.31364962
 C                  0.15260204   -0.40604912   -6.31166962
 C                  2.79906404    0.48575988   -6.27000562
 H                  3.05052304   -0.77852112   -4.55535162
 C                  0.59878104    0.50310788   -7.27587762
 H                 -0.87925996   -0.74933212   -6.32513062
 C                  1.92261104    0.94888688   -7.25769062
 H                  3.82878704    0.83034688   -6.23778562
 H                 -0.08863696    0.86316288   -8.03671862
 H                  2.27067204    1.65361488   -8.00832862
 C                  0.25927404   -2.50082612    4.63692538
 C                 -1.02374496   -2.84920012    5.07148838
 C                  1.12221704   -3.49884112    4.16226738
 C                 -1.44234696   -4.18266612    5.03651338
 H                 -1.69505996   -2.07730412    5.44036838
 C                  0.70307904   -4.82878912    4.12262238
 H                  2.12009304   -3.22986112    3.82443238
 C                 -0.58024196   -5.17327912    4.56142738
 H                 -2.43986696   -4.44484412    5.37871738
 H                  1.37831504   -5.59682612    3.75513338
 H                 -0.90420896   -6.21019112    4.53372238
 C                  1.87871604    4.91854088   -3.39911762
 C                  0.89682104    5.91339188   -3.49727962
 C                  2.16936904    4.12454788   -4.51657462
 C                  0.21550704    6.11592288   -4.69867862
 H                  0.66821204    6.52746888   -2.62927162
 C                  1.48494204    4.32556188   -5.71797262
 H                  2.91993504    3.34238888   -4.43618662
 C                  0.51005904    5.32201588   -5.81206762
 H                 -0.54159796    6.89272588   -4.76736462
 H                  1.71131804    3.69933588   -6.57577162
 H                 -0.01971796    5.47935088   -6.74802662
 N                  4.56201504   -0.36286812   -1.42441662
 S                  4.94565704    0.73924388   -2.54731662
 O                  5.32622804   -0.06520712   -3.73869562
 O                  3.87161304    1.75401388   -2.71534362
 C                  6.41860904    1.64604788   -2.07576662
 C                  7.67450604    1.10698888   -2.36184462
 C                  6.30086304    2.86828788   -1.40738862
 C                  8.81996304    1.80945588   -1.98590662
 H                  7.75383604    0.16049688   -2.88648362
 C                  7.45339204    3.55836988   -1.04331962
 H                  5.32184704    3.26619588   -1.17024862
 C                  8.72931104    3.04293188   -1.32529962
 H                  9.79859404    1.39436388   -2.21349762
 H                  7.36330704    4.51126688   -0.52718662
 C                  9.96506704    3.81499088   -0.93298262
 H                 10.04680404    4.74447888   -1.51172362
 H                  9.93352104    4.09895688    0.12593538
 H                 10.87592304    3.23237588   -1.10327562
 Cl                 4.84711504    1.18645488    1.18831638

-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
****
-N -C -H -O -Cl -S 0
6-311++g**
****

-Cu 0
U-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

