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

i9-Cu+

1 1
 C                  0.16180400   -0.38798000    0.05898500
 C                  1.29166100   -0.73502200   -0.88811300
 C                  0.69958500   -0.37701800    1.47957500
 C                 -0.33931100    0.98111500   -0.35331500
 C                 -0.20624600    1.57334200   -1.59251400
 H                  0.23796800    1.24293600   -2.51716500
 C                  1.36906900   -1.68878700   -1.87547500
 H                  0.68949200   -2.45906900   -2.20120500
 C                  0.46353400   -1.24614400    2.52292900
 H                 -0.19574900   -2.09199300    2.63628900
 N                  1.28100700   -0.81372900    3.51528300
 N                 -0.71713600    2.81057300   -1.43424000
 N                  2.58210900   -1.47945700   -2.44809600
 N                 -0.93974200    1.87476800    0.48465900
 N                 -1.16478000    2.98631100   -0.17000500
 N                  3.22401300   -0.45920000   -1.87265300
 N                  2.43949000    0.00187100   -0.92803100
 N                  1.64924500    0.50955200    1.88672300
 N                  2.00365100    0.24276100    3.12463100
 Cu                 3.05021300    1.43986000    0.51108600
 O                 -0.79263100   -1.43577700   -0.08924600
 C                 -2.11185300   -1.15176700    0.38657400
 H                 -2.62445000   -0.42821200   -0.25822600
 H                 -2.64744800   -2.10376400    0.35678400
 H                 -2.10667400   -0.76999800    1.41433300
 C                  3.16362800   -2.11271400   -3.63267000
 H                  4.24704000   -2.07115000   -3.49218300
 H                  2.86062400   -3.16142200   -3.62698200
 C                 -0.67905400    3.91260800   -2.40217400
 H                 -1.47763800    3.76928500   -3.13547300
 H                 -0.89382600    4.81847800   -1.82948700
 C                  1.56361800   -1.44563600    4.81639800
 H                  1.62967900   -0.64222100    5.55309800
 H                  0.70232100   -2.07260700    5.05428300
 C                  2.74272900   -1.42574500   -4.91953000
 C                  2.70509000   -0.02708000   -5.01765300
 C                  2.42129700   -2.19916200   -6.04076300
 C                  2.35211100    0.58504000   -6.22154300
 H                  2.94664800    0.58711700   -4.15505500
 C                  2.07565500   -1.58546900   -7.24793300
 H                  2.44224800   -3.28413900   -5.97072700
 C                  2.03838800   -0.19216200   -7.34051600
 H                  2.32219200    1.66927400   -6.27962900
 H                  1.82819400   -2.19705300   -8.11146300
 H                  1.76453400    0.28561700   -8.27725700
 C                  2.84683700   -2.24475600    4.73966500
 C                  2.82784400   -3.57322100    4.29629500
 C                  4.07341300   -1.63251300    5.02556700
 C                  4.02173600   -4.27961100    4.13360900
 H                  1.87745400   -4.05302900    4.07426200
 C                  5.26813100   -2.33948800    4.86630900
 H                  4.09152000   -0.60030300    5.36442600
 C                  5.24402000   -3.66261900    4.41553900
 H                  3.99781400   -5.30916600    3.78756300
 H                  6.21454700   -1.85774700    5.09699200
 H                  6.17303800   -4.21139400    4.28781900
 C                  0.67542800    3.99224100   -3.08158500
 C                  0.75906700    4.17373900   -4.46591000
 C                  1.85755900    3.89355400   -2.33254500
 C                  2.00620800    4.26573700   -5.09321300
 H                 -0.15169300    4.24205800   -5.05608900
 C                  3.10247500    3.98779500   -2.95477700
 H                  1.80740900    3.74700500   -1.25853000
 C                  3.17934800    4.17093200   -4.34011900
 H                  2.05785100    4.40962800   -6.16923200
 H                  4.00383400    3.93082400   -2.35181700
 H                  4.14816000    4.24090600   -4.82746600
 N                  5.00317400    1.73593200    1.09128100
 I                  5.84213800    0.18155700    2.12163200
 S                  6.10474100    2.66548500    0.24682300
 C                  5.29018300   -1.44068800    0.88249000
 O                  5.26536700    3.76889700   -0.26911200
 O                  7.28774000    2.99358100    1.06682500
 C                  6.67673300    1.70661000   -1.15119000
 C                  6.08831300   -1.77695500   -0.21362400
 C                  4.11231200   -2.12453700    1.19443200
 C                  5.76770100    1.37982100   -2.15914000
 C                  7.99739500    1.25493600   -1.19681100
 C                  5.68397200   -2.84341400   -1.01886800
 H                  6.99148200   -1.22343700   -0.44267000
 C                  3.73006700   -3.18986600    0.37707500
 H                  3.51537900   -1.84772600    2.05430300
 C                  6.19137700    0.59076800   -3.22487700
 H                  4.74114200    1.72031500   -2.10536400
 C                  8.40423200    0.46273600   -2.27105100
 H                  8.68899600    1.52024600   -0.40453400
 C                  4.51282100   -3.54788400   -0.72369100
 H                  6.28904300   -3.11934800   -1.87761100
 H                  2.81932200   -3.73486400    0.60665900
 C                  7.51130400    0.11945700   -3.29878100
 H                  5.48195900    0.32975400   -4.00565600
 H                  9.43055600    0.10668500   -2.31178900
 H                  4.20910100   -4.37778700   -1.35523500
 C                  7.96247800   -0.72248000   -4.46614200
 H                  8.36958200   -0.09077500   -5.26710300
 H                  8.75094600   -1.42405200   -4.17339200
 H                  7.13018800   -1.29245800   -4.89312600
 C                  1.42359900    7.60849900   -0.86680000
 C                  0.27793800    7.04299600   -0.30183700
 C                  0.38706200    5.93510000    0.54097400
 C                  1.64166200    5.37352900    0.84125000
 C                  2.78899400    5.95629400    0.26645300
 C                  2.67802500    7.05816400   -0.57796000
 H                  1.34181200    8.46515700   -1.53049200
 H                 -0.70194400    7.46034100   -0.51973600
 H                 -0.50826600    5.48544100    0.96058200
 H                  3.76531600    5.51858900    0.44486700
 H                  3.57343700    7.48399300   -1.02349400
 C                  1.70082400    4.19205500    1.71798100
 H                  0.73444100    3.76078000    1.97655100
 C                  2.81084500    3.61621500    2.21764600
 H                  2.74178400    2.77184500    2.89570700
 H                  3.80758300    3.98877100    2.01155700

-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
****
-I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308000              1.0000000
D   1   1.00
      0.2940000              1.0000000
****
-N -C -H -O -Cl -S -B 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
-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





