%nprocshared=12
%mem=24GB
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm
pop=full empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)
iop(1/8=5)

TTMCuCl + Product (adduct)

1 1
 C                  3.22141570   -3.03992736    0.00000000
 C                  3.45037970   -3.97177236   -1.17323200
 C                  4.25641670   -3.27299136    1.08712600
 C                  3.31183370   -1.62804636   -0.55226500
 C                  3.01156670   -1.20171636   -1.83294300
 H                  2.69527770   -1.72340936   -2.72241700
 C                  2.54537870   -4.67046536   -1.93992500
 H                  1.48725770   -4.85087036   -1.84276800
 C                  4.08571970   -3.75174536    2.36661800
 H                  3.21044770   -4.04344336    2.92425000
 N                  5.33801270   -3.80437336    2.88290100
 N                  3.22546270    0.12990064   -1.80448000
 N                  3.28432370   -5.15025836   -2.97268800
 N                  3.68784470   -0.54197536    0.18079600
 N                  3.63739870    0.52330764   -0.57929100
 N                  4.56539770   -4.77484736   -2.87543200
 N                  4.66455170   -4.05898636   -1.78094800
 N                  5.59473670   -3.07960036    0.90109100
 N                  6.25213970   -3.40645136    1.99525000
 Cu                 6.42924570   -3.07439036   -0.91512400
 O                  1.92752170   -3.37198136    0.50010700
 C                  1.26685770   -2.36231136    1.27005900
 H                  0.90474570   -1.54582436    0.63386300
 H                  0.41465170   -2.86094036    1.73825400
 H                  1.91471470   -1.94461936    2.04943000
 C                  2.81130770   -5.79306636   -4.20922400
 H                  3.54641370   -6.55354136   -4.47793000
 H                  1.86655370   -6.28431236   -3.96670500
 C                  3.13801770    1.08568664   -2.92058200
 H                  2.13879370    0.99079764   -3.35381000
 H                  3.23379670    2.07505664   -2.47006500
 C                  5.77281670   -4.37600936    4.16902600
 H                  6.62891970   -3.78129436    4.49527600
 H                  4.95380770   -4.23111136    4.87541900
 C                  2.65014570   -4.75857036   -5.30446900
 C                  3.65271170   -4.58497436   -6.26575800
 C                  1.52533370   -3.92260536   -5.32360200
 C                  3.52764970   -3.59289436   -7.24215100
 H                  4.52988970   -5.22675236   -6.24891800
 C                  1.40330770   -2.92536736   -6.29357800
 H                  0.74379570   -4.05521836   -4.57883100
 C                  2.40542570   -2.75970236   -7.25585800
 H                  4.30638870   -3.47040236   -7.99008500
 H                  0.52540570   -2.28500436   -6.30414000
 H                  2.30995170   -1.98693336   -8.01367500
 C                  6.13073670   -5.83941636    4.01446400
 C                  5.26208570   -6.83970336    4.46366700
 C                  7.32569170   -6.20041536    3.37647100
 C                  5.58428270   -8.18752636    4.27855100
 H                  4.33537470   -6.56509936    4.96197700
 C                  7.64510570   -7.54465836    3.18506800
 H                  7.99992970   -5.42373436    3.02738700
 C                  6.77329470   -8.54151536    3.63651500
 H                  4.90603870   -8.95834336    4.63435800
 H                  8.57368470   -7.81351336    2.68860600
 H                  7.02270370   -9.58908736    3.49079800
 C                  4.21467870    0.83609464   -3.95582500
 C                  4.02282570   -0.11788536   -4.96606500
 C                  5.43144570    1.52464264   -3.88635700
 C                  5.03721370   -0.38258036   -5.88813900
 H                  3.07819670   -0.65220436   -5.03709200
 C                  6.44485170    1.26509764   -4.81202000
 H                  5.58893970    2.25614764   -3.09890400
 C                  6.25073970    0.30865064   -5.81211800
 H                  4.87719770   -1.12727536   -6.66206500
 H                  7.38659070    1.80240064   -4.74398000
 H                  7.03971770    0.10386064   -6.53071000
 N                  7.74410870   -2.89493936   -2.46258700
 S                  8.75611570   -4.30980436   -2.70819100
 O                  7.87212170   -5.46769936   -2.54190600
 O                  9.51719470   -4.13583736   -3.95444700
 C                  9.83298470   -4.14267836   -1.30513900
 C                  9.36760370   -4.53024736   -0.04367400
 C                 11.09223970   -3.56401736   -1.47757100
 C                 10.19145370   -4.32860836    1.05978800
 H                  8.38323370   -4.97275436    0.07264800
 C                 11.89874970   -3.37228636   -0.35754100
 H                 11.43332070   -3.27300336   -2.46523200
 C                 11.46413470   -3.74976436    0.92245900
 H                  9.84482470   -4.62353336    2.04581200
 H                 12.88061370   -2.92304036   -0.47933900
 C                 12.35661070   -3.57146436    2.12379500
 H                 11.77319070   -3.38673336    3.03198000
 H                 12.95042070   -4.47935536    2.29565100
 H                 13.05748570   -2.74214136    1.98426800
 C                  8.35299770   -1.58290636   -2.90978700
 C                  7.24633170   -2.20113236   -3.68153300
 H                  7.49565170   -2.65123936   -4.63842300
 H                  6.22887770   -1.83938936   -3.58289700
 H                  9.33208970   -1.70421436   -3.36648300
 C                  8.24559370   -0.42534936   -1.98291300
 C                  9.41236270    0.27949264   -1.65544400
 C                  7.02562970   -0.02704636   -1.41780000
 C                  9.36262070    1.36119564   -0.77402000
 H                 10.36125970   -0.02361136   -2.09094400
 C                  6.97630670    1.04759064   -0.52951300
 H                  6.10880470   -0.55116936   -1.67270100
 C                  8.14428970    1.74597764   -0.20839000
 H                 10.27399970    1.90019264   -0.53009500
 H                  6.02147570    1.34239164   -0.10658400
 H                  8.10337970    2.58674264    0.47883200

-Cu 0
LANL2DZ
****
-N -C -H -O -Cl -S 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I 0
LANL2DZ







