%chk=TS1-+-oss-2-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)

TS1-+-oss-2-SP

1 1
 C                  1.37272731    1.52727270    0.00000000
 C                  1.51395831    0.51258070   -1.12127100
 C                  2.57265431    1.40575070    0.93193500
 C                  1.35709531    2.89102870   -0.69384300
 C                  0.34733431    3.81313470   -0.85265400
 H                 -0.65822169    3.87437370   -0.46846300
 C                  0.66119131   -0.44013730   -1.63008700
 H                 -0.31345569   -0.78893230   -1.32953700
 C                  2.72919931    0.74374670    2.13056900
 H                  2.05425731    0.18151270    2.75569300
 N                  4.03228731    0.93771270    2.45658400
 N                  0.87322131    4.75737070   -1.67475200
 N                  1.32343131   -0.93100930   -2.71103800
 N                  2.41283031    3.32781570   -1.43833000
 N                  2.12240731    4.46070970   -2.03106400
 N                  2.50295531   -0.32746930   -2.88161400
 N                  2.61483631    0.54479870   -1.91638300
 N                  3.78545031    1.92963770    0.59802600
 N                  4.66905631    1.64959770    1.52225400
 Cu                 4.07632331    2.14419070   -1.60958400
 O                  0.14355931    1.25657870    0.62921200
 C                 -0.18702369    2.02814770    1.79660500
 H                 -1.27713369    2.10311170    1.81181000
 H                  0.14880131    1.52365370    2.70825900
 H                  0.24285231    3.03441970    1.76709200
 C                  0.83396131   -1.84825330   -3.75549200
 H                  1.59872931   -2.61248330   -3.90618500
 H                 -0.06302769   -2.32294530   -3.35246800
 C                  0.19426531    5.91659370   -2.27404100
 H                 -0.62557169    6.17063570   -1.59747000
 H                  0.90847731    6.74179570   -2.27690900
 C                  4.73742131    0.50814870    3.67198700
 H                  5.16557731    1.40182870    4.13218900
 H                  3.96426731    0.12509870    4.34420200
 C                  0.55736831   -1.07721330   -5.02927100
 C                 -0.53328569   -0.19954430   -5.09661900
 C                  1.43259431   -1.17132830   -6.11678000
 C                 -0.74478969    0.57467470   -6.23831600
 H                 -1.21306669   -0.11818630   -4.25135900
 C                  1.21754531   -0.40104830   -7.26300100
 H                  2.28716031   -1.84059730   -6.06225900
 C                  0.13219831    0.47591370   -7.32374800
 H                 -1.59042869    1.25531170   -6.28147100
 H                  1.90435531   -0.47866830   -8.10128700
 H                 -0.03095269    1.08114070   -8.21132200
 C                  5.80810431   -0.53389830    3.41567700
 C                  6.99890731   -0.48404530    4.15057300
 C                  5.61188031   -1.56858230    2.49377900
 C                  7.97847831   -1.46493730    3.97556000
 H                  7.16020831    0.32417770    4.86032400
 C                  6.59647531   -2.54055630    2.31041000
 H                  4.71214631   -1.59447230    1.88929200
 C                  7.77926431   -2.49518930    3.05306200
 H                  8.90047731   -1.41523030    4.54864400
 H                  6.44323431   -3.32616030    1.57569200
 H                  8.54673431   -3.24985730    2.90380900
 C                 -0.30501069    5.61427470   -3.67357700
 C                 -1.13875369    4.51359170   -3.91350300
 C                  0.05819631    6.44401870   -4.73920900
 C                 -1.60023369    4.24728170   -5.20282800
 H                 -1.42218169    3.85852670   -3.09316900
 C                 -0.40909469    6.18198570   -6.03040000
 H                  0.70907831    7.29579070   -4.55908100
 C                 -1.23647169    5.08148170   -6.26554100
 H                 -2.24472669    3.39058370   -5.37861200
 H                 -0.11880369    6.83255270   -6.85075600
 H                 -1.59520369    4.87280970   -7.26965200
 N                  5.79157131    1.34111770   -1.68934700
 S                  5.95098031   -0.28243630   -1.49942300
 O                  5.00531431   -0.70089230   -0.43519100
 O                  5.90402531   -1.04092130   -2.77134100
 C                  7.60993631   -0.44008130   -0.84108300
 C                  7.90832231    0.18349270    0.37615100
 C                  8.57158031   -1.18205330   -1.52469700
 C                  9.18763731    0.05390970    0.90508500
 H                  7.14534531    0.75007170    0.89985100
 C                  9.85046531   -1.30493930   -0.97605800
 H                  8.31994831   -1.65545930   -2.46796000
 C                 10.17633931   -0.69504030    0.24270900
 H                  9.42345831    0.53070870    1.85266000
 H                 10.60423731   -1.88491430   -1.50275200
 C                 11.54497431   -0.85889930    0.85605100
 H                 11.51492431   -1.58587730    1.67901400
 H                 12.27520631   -1.21821130    0.12374500
 H                 11.91155831    0.08550170    1.27454400
 C                  6.23156431    2.99417470   -4.10418300
 C                  6.81107031    1.80086070   -3.78362300
 H                  6.38379631    0.85402470   -4.08685100
 H                  6.78782931    3.91051370   -3.90990400
 C                  4.87442931    3.17415970   -4.59440500
 C                  3.94302031    2.10930270   -4.66606800
 C                  4.44168931    4.46430970   -4.97788000
 C                  2.63807331    2.33316570   -5.09844200
 H                  4.23290431    1.11102870   -4.35596200
 C                  3.14301631    4.67771870   -5.42925400
 H                  5.14216831    5.29428070   -4.92188300
 C                  2.23460131    3.61381270   -5.48900200
 H                  1.93423831    1.50756070   -5.12495300
 H                  2.82672031    5.67459770   -5.72187300
 H                  1.21693431    3.78608670   -5.82473900
 H                  7.82911631    1.77372870   -3.40926300

-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

