%nprocshared=12
%mem=24GB
#p b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

SP-MECP-SP1-R-1

0 1
 C                 -0.45703838   -0.55758683    0.00000000
 C                  0.00239690   -1.48199424   -1.10693170
 C                  0.26042784   -0.90802505    1.29069271
 C                 -0.10610382    0.87063614   -0.38445128
 C                  0.10396418    1.43270264   -1.62999817
 H                  0.12569676    1.02655894   -2.62863412
 C                 -0.57963699   -1.76029168   -2.32541926
 H                 -1.52690164   -1.49157353   -2.76555184
 C                 -0.22579534   -1.41205142    2.47299607
 H                 -1.21756073   -1.68422383    2.79717178
 N                  0.86741868   -1.53131836    3.26863099
 N                  0.34650040    2.73742347   -1.37343330
 N                  0.35825620   -2.48959231   -2.98205252
 N                  0.03067927    1.85555777    0.55377610
 N                  0.30679591    2.98244068   -0.04509009
 N                  1.45850538   -2.65465542   -2.22805347
 N                  1.23900700   -2.04990707   -1.09120475
 N                  1.60846078   -0.76754172    1.43805541
 N                  1.97851367   -1.14918317    2.63839480
 Cu                 2.93292052   -0.46168464   -0.07114294
 O                 -1.86078034   -0.78108560    0.13542865
 C                 -2.60782223    0.22385379    0.82876454
 H                 -2.69996932    1.14111919    0.23491162
 H                 -3.60092774   -0.20540054    0.98319252
 H                 -2.16708993    0.47608511    1.79965806
 C                  0.42953618   -2.76899895   -4.42284630
 H                  1.17673489   -3.55687202   -4.54401750
 H                 -0.54133239   -3.14939671   -4.74690942
 C                  0.68172823    3.80760727   -2.31220522
 H                 -0.11054147    3.86404585   -3.06378903
 H                  0.65374760    4.72859060   -1.72229966
 C                  0.93827783   -2.08755472    4.62809577
 H                  1.92944646   -1.82109733    5.00213127
 H                  0.18693895   -1.57583250    5.23346586
 C                  0.81014205   -1.49515506   -5.15678501
 C                  2.00886492   -0.83857100   -4.83545631
 C                 -0.05840732   -0.92442288   -6.09201747
 C                  2.32089124    0.38229451   -5.43289291
 H                  2.68941547   -1.27148750   -4.10745292
 C                  0.26297589    0.29264047   -6.70279484
 H                 -0.99091356   -1.42669700   -6.33803928
 C                  1.44765929    0.95141787   -6.36703943
 H                  3.23704890    0.89690603   -5.15827558
 H                 -0.41897424    0.72842948   -7.42821121
 H                  1.69071153    1.90621722   -6.82467177
 C                  0.71795863   -3.58547191    4.62023196
 C                 -0.38718680   -4.14355590    5.27060984
 C                  1.61425912   -4.42232340    3.94004140
 C                 -0.59415387   -5.52615111    5.24918223
 H                 -1.08577112   -3.49608889    5.79524078
 C                  1.40520697   -5.80113659    3.91444526
 H                  2.47102148   -3.99011426    3.42839802
 C                  0.30110155   -6.35625653    4.57141295
 H                 -1.45548367   -5.95088202    5.75801597
 H                  2.10430219   -6.44308330    3.38518402
 H                  0.14014262   -7.43095798    4.55254797
 C                  2.03553119    3.61725903   -2.96648431
 C                  2.22115780    4.02523293   -4.29253954
 C                  3.11409789    3.07852568   -2.25463680
 C                  3.47561521    3.91061431   -4.89681142
 H                  1.38264180    4.43248408   -4.85296502
 C                  4.36485999    2.95493478   -2.86147867
 H                  2.98561687    2.74617692   -1.22854095
 C                  4.55034148    3.37390488   -4.18222010
 H                  3.60920394    4.22990318   -5.92715625
 H                  5.18960037    2.52927384   -2.29991522
 H                  5.52478489    3.27409338   -4.65175012
 N                  3.87064575   -0.47053756   -1.61900753
 S                  5.30746478   -1.15257253   -1.82672471
 O                  5.82113414   -1.93894050   -0.68724502
 O                  4.98323810   -1.85136269   -3.10740599
 C                  6.57053742    0.05430684   -2.22944613
 C                  7.34134330    0.62645010   -1.21322934
 C                  6.72845547    0.45397608   -3.55775866
 C                  8.26774182    1.61591110   -1.53859878
 H                  7.21589448    0.30229018   -0.18659252
 C                  7.67135463    1.43404091   -3.86678811
 H                  6.12759221   -0.00233169   -4.33687943
 C                  8.44752481    2.03711576   -2.86653860
 H                  8.86380427    2.06742934   -0.74909128
 H                  7.80388836    1.73431131   -4.90316644
 C                  9.44126590    3.12277851   -3.20112470
 H                 10.38180071    2.98491574   -2.65538650
 H                  9.66734961    3.14599315   -4.27270134
 H                  9.04937628    4.11019504   -2.92279569
 Cl                 4.37982406    1.09984392    0.64057893

-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

