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

Title Card Required

0 1
 C                 -0.39090910   -0.52727272    0.00000000
 C                  0.21220290   -1.04432972   -1.28955000
 C                  0.50743690   -0.86238572    1.17715900
 C                 -0.53937310    0.97365028   -0.14563600
 C                 -0.70864510    1.69922828   -1.30807000
 H                 -0.76966410    1.41171728   -2.34485500
 C                 -0.34294810   -1.84238272   -2.26267900
 H                 -1.29220010   -2.34692872   -2.33825500
 C                  0.22501290   -1.55334872    2.33290700
 H                 -0.67017210   -2.02542672    2.70371500
 N                  1.39683890   -1.56413972    3.01597100
 N                 -0.73049810    2.98505328   -0.90120600
 N                  0.59399890   -1.87978372   -3.24271000
 N                 -0.48543110    1.84605928    0.90034500
 N                 -0.59744810    3.06621828    0.44166200
 N                  1.66727590   -1.14397572   -2.91881500
 N                  1.43741190   -0.63991272   -1.72971900
 N                  1.82221490   -0.50577772    1.21929100
 N                  2.36440490   -0.93530172    2.33379800
 Cu                 2.83983790    0.37095728   -0.43911200
 O                 -1.63316210   -1.22194172    0.14014600
 C                 -2.63512410   -0.57282972    0.92648800
 H                 -3.06718710    0.28630828    0.39897700
 H                 -3.41344910   -1.32251372    1.09049800
 H                 -2.25034210   -0.23446872    1.89544800
 C                  0.46591490   -2.43216072   -4.59509000
 H                  1.48231390   -2.47343972   -4.99535200
 H                  0.08540990   -3.45248672   -4.50917900
 C                 -0.82842410    4.19980128   -1.72167000
 H                 -1.88616210    4.42943928   -1.88225500
 H                 -0.39438110    4.99923528   -1.11461300
 C                  1.68538290   -2.18004072    4.31317800
 H                  2.74277490   -1.97410772    4.50288700
 H                  1.09799090   -1.66338372    5.07727700
 C                 -0.44458510   -1.57146572   -5.44988300
 C                 -0.21475610   -0.19166772   -5.55798400
 C                 -1.52657810   -2.14280472   -6.12694100
 C                 -1.06069210    0.60286428   -6.33161900
 H                  0.62113790    0.26151028   -5.03018000
 C                 -2.36929110   -1.34738472   -6.90986400
 H                 -1.71300210   -3.21067172   -6.04062200
 C                 -2.13981210    0.02613128   -7.01066800
 H                 -0.87615110    1.67091528   -6.40030800
 H                 -3.20758910   -1.80170572   -7.43133300
 H                 -2.79855410    0.64639128   -7.61272900
 C                  1.40007690   -3.66826072    4.31932000
 C                  0.83917890   -4.26738872    5.45258200
 C                  1.72192190   -4.46119172    3.21010000
 C                  0.61260890   -5.64637772    5.48217000
 H                  0.57966290   -3.65555472    6.31338800
 C                  1.49037390   -5.83669872    3.23759200
 H                  2.15426290   -4.00371172    2.32564300
 C                  0.93618990   -6.43379772    4.37440800
 H                  0.17562090   -6.10161072    6.36700500
 H                  1.74427090   -6.44027172    2.37012800
 H                  0.75414190   -7.50502272    4.39467400
 C                 -0.10327310    4.04234428   -3.04228200
 C                 -0.75970310    4.32902428   -4.24376000
 C                  1.22870490    3.60101928   -3.07290600
 C                 -0.09305610    4.18763028   -5.46542900
 H                 -1.79456110    4.66261228   -4.22668500
 C                  1.88678190    3.44336928   -4.29299300
 H                  1.74688690    3.36506928   -2.14548300
 C                  1.22918390    3.73795228   -5.49316600
 H                 -0.61153710    4.41917928   -6.39221700
 H                  2.91607090    3.09411428   -4.30395300
 H                  1.74445790    3.61664928   -6.44233900
 Cl                 3.35527590    2.65503328   -0.12027900
 C                  3.93455290   -5.10580172    0.32969700
 C                  4.65953790   -4.35226972    1.25662400
 C                  4.94251790   -3.01037072    0.99929700
 C                  4.52461090   -2.39707372   -0.19627000
 C                  3.78644390   -3.16613872   -1.11764100
 C                  3.49331190   -4.50236172   -0.85411000
 H                  3.71002790   -6.15016972    0.52929800
 H                  4.99541390   -4.80598272    2.18511100
 H                  5.50017090   -2.42634972    1.72729200
 H                  3.43099890   -2.71339072   -2.03701400
 H                  2.92004890   -5.07802472   -1.57661100
 C                  4.89013890   -0.98897372   -0.43229900
 H                  5.39152290   -0.49932572    0.40186700
 C                  4.73719790   -0.28062472   -1.58257400
 H                  5.15595390    0.71751528   -1.66765500
 H                  4.32060490   -0.71483672   -2.48763600

-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







