%chk=I5-+-t-2-N3-freq.chk
%nprocshared=12
%mem=24GB
#p freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint 
scf=(maxcyc=400,xqc)

I5-+-t-2-N3-freq

1 3
 C                 -0.48181819   -0.39996572    0.00523583
 C                 -0.26525419   -1.35110472   -1.15885117
 C                  0.63071581   -0.60961572    1.02207883
 C                 -0.44537219    1.00388628   -0.59405617
 C                 -1.44215419    1.94087628   -0.74980417
 H                 -2.46445219    1.98688828   -0.41085717
 C                 -1.01945219   -2.38660472   -1.65471417
 H                 -1.95602619   -2.82250272   -1.34678617
 C                  0.72098581   -1.51719272    2.05821683
 H                  0.03629681   -2.24919672    2.45673683
 N                  1.95558881   -1.31308472    2.57552283
 N                 -0.87560819    2.92333028   -1.49544717
 N                 -0.32508619   -2.81619372   -2.74185517
 N                  0.64538381    1.47393428   -1.26261017
 N                  0.38746781    2.63761728   -1.81037017
 N                  0.78703281   -2.10029772   -2.93134917
 N                  0.82049981   -1.21706972   -1.96715117
 N                  1.80986381    0.06613028    0.95395483
 N                  2.61035881   -0.35608172    1.90126383
 Cu                 2.24590081    0.26858628   -1.59260017
 O                 -1.76435119   -0.69845272    0.51395283
 C                 -2.14320119   -0.05065072    1.73917583
 H                 -3.23573319   -0.04577572    1.74769383
 H                 -1.77733919   -0.60205272    2.61143283
 H                 -1.77672319    0.97998528    1.79378883
 C                 -0.75854419   -3.77220672   -3.76421217
 H                  0.14247881   -4.04194772   -4.32197617
 H                 -1.12503319   -4.66551872   -3.25364117
 C                 -1.51727919    4.12226828   -2.05381817
 H                 -2.38738919    4.32042428   -1.42262217
 H                 -0.81412519    4.94876928   -1.93840917
 C                  2.55898081   -1.94406972    3.75889883
 H                  2.77144681   -1.15125772    4.48042383
 H                  1.77831081   -2.58266472    4.18124483
 C                 -1.82249519   -3.17593272   -4.66944917
 C                 -1.79507419   -1.81939772   -5.01989117
 C                 -2.83370719   -3.99626372   -5.18189617
 C                 -2.76308419   -1.29293372   -5.87684517
 H                 -1.02203319   -1.16924072   -4.62103117
 C                 -3.79955319   -3.46997372   -6.04399317
 H                 -2.86691519   -5.04742372   -4.90568217
 C                 -3.76736819   -2.11741672   -6.39281717
 H                 -2.72965419   -0.23908372   -6.13945817
 H                 -4.58124719   -4.11600072   -6.43450917
 H                 -4.52194319   -1.70789472   -7.05889617
 C                  3.80980381   -2.73965372    3.44894583
 C                  4.96873981   -2.53277072    4.20522683
 C                  3.81281381   -3.70985172    2.43869083
 C                  6.11545981   -3.29527672    3.96528683
 H                  4.97535581   -1.77292872    4.98307083
 C                  4.96118881   -4.46210672    2.19068583
 H                  2.92994881   -3.85360872    1.82498383
 C                  6.11382781   -4.26056272    2.95625583
 H                  7.01124181   -3.12374072    4.55629983
 H                  4.95877381   -5.19995572    1.39291683
 H                  7.00931981   -4.84287472    2.75677483
 C                 -1.91224119    3.93484928   -3.50620517
 C                 -2.68226119    2.83377328   -3.90528017
 C                 -1.53093919    4.88570828   -4.45878717
 C                 -3.06912219    2.69056628   -5.23832317
 H                 -2.98287919    2.08600428   -3.17571717
 C                 -1.92495819    4.74715928   -5.79298517
 H                 -0.92566819    5.73674428   -4.15691817
 C                 -2.69410819    3.64932928   -6.18565917
 H                 -3.67075519    1.83577828   -5.53446717
 H                 -1.62370119    5.49279728   -6.52353617
 H                 -2.99918719    3.53941128   -7.22274117
 N                  3.93077981   -0.57544872   -1.85993517
 S                  4.14487881   -2.14643072   -1.30086717
 O                  3.07971881   -2.39578772   -0.31438717
 O                  4.30963181   -3.09947772   -2.41782117
 C                  5.71221181   -2.01162572   -0.45259717
 C                  5.77724181   -1.25824372    0.72560483
 C                  6.84525381   -2.62171272   -0.98886917
 C                  7.00268381   -1.12810772    1.36876883
 H                  4.88162581   -0.80559472    1.13838583
 C                  8.06538081   -2.48278472   -0.32388817
 H                  6.77046381   -3.19805472   -1.90487817
 C                  8.16308481   -1.73795472    0.85863783
 H                  7.06204681   -0.55676372    2.29122983
 H                  8.95204481   -2.96147272   -0.73149217
 C                  9.47142381   -1.61037672    1.59739583
 H                  9.43652281   -2.16876972    2.54236883
 H                 10.30875381   -1.99865172    1.00907483
 H                  9.68480881   -0.56521872    1.85127683
 C                  4.33610181    1.11109828   -3.56066817
 C                  4.66128481   -0.28073872   -3.11994717
 H                  4.41356181   -1.02331772   -3.88840317
 H                  4.98008581    1.91254328   -3.20700717
 C                  3.17636281    1.46321428   -4.29834017
 C                  2.23780281    0.49511428   -4.77629517
 C                  2.88543981    2.83801928   -4.55535017
 C                  1.08613081    0.88909728   -5.44523217
 H                  2.40820481   -0.55952272   -4.58730217
 C                  1.73013481    3.21480128   -5.22240917
 H                  3.58378981    3.59318228   -4.20240217
 C                  0.81738081    2.24618928   -5.66984917
 H                  0.38886581    0.13419028   -5.79740217
 H                  1.52350481    4.26796528   -5.39206417
 H                 -0.09250019    2.54861528   -6.17802717
 H                  5.73899181   -0.36879972   -2.92297717

-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







