%chk=I5-Cl-t-2-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-Cl-t-2-freq

0 3
 C                 -1.69989019   -0.41829163   -0.01677793
 C                 -1.30835619   -1.22422063   -1.23598693
 C                 -0.54300719   -0.35470963    0.96002907
 C                 -2.03208219    0.97789837   -0.51599993
 C                 -2.40205319    1.36811237   -1.78883693
 H                 -2.53779019    0.82910337   -2.71394493
 C                 -2.07054819   -2.06643863   -2.01024293
 H                 -3.06676719   -2.46154663   -1.89512193
 C                 -0.40694719   -0.83100763    2.24389807
 H                 -1.07982219   -1.35042963    2.90722807
 N                  0.86182381   -0.49702763    2.59626907
 N                 -2.54706819    2.70727637   -1.70038293
 N                 -1.28844319   -2.32798163   -3.09044993
 N                 -1.96977419    2.09110737    0.27132707
 N                 -2.27517819    3.13879437   -0.44789293
 N                 -0.11701619   -1.69600563   -3.01281193
 N                 -0.12908119   -1.02711463   -1.88818793
 N                  0.64153481    0.21745337    0.61437707
 N                  1.49601681    0.13334737    1.60757007
 Cu                 1.46825681    0.22613937   -1.32755093
 O                 -2.80074119   -1.11145963    0.56279007
 C                 -3.64212019   -0.34980963    1.43441407
 H                 -4.24303019    0.37946737    0.87823507
 H                 -4.30572119   -1.07641663    1.90927007
 H                 -3.07057319    0.17783837    2.20676407
 C                 -1.69154819   -2.92772763   -4.36992793
 H                 -0.76531019   -3.21380063   -4.87365893
 H                 -2.27163319   -3.82655363   -4.15321293
 C                 -2.77660119    3.66160237   -2.78371793
 H                 -3.67446919    3.35602737   -3.32724693
 H                 -2.98431419    4.61802537   -2.29491793
 C                  1.58242281   -0.81233563    3.83094707
 H                  1.96261581    0.12767537    4.23990007
 H                  0.83637481   -1.20209763    4.52933107
 C                 -2.48950219   -1.92138163   -5.17962493
 C                 -1.94089219   -0.66132063   -5.46337893
 C                 -3.78156419   -2.22358063   -5.62083493
 C                 -2.68176719    0.28500437   -6.17193393
 H                 -0.93444019   -0.42155763   -5.13422793
 C                 -4.52020319   -1.27827363   -6.34028593
 H                 -4.21306519   -3.19684463   -5.39934593
 C                 -3.97433719   -0.02166963   -6.61177693
 H                 -2.24473419    1.25760437   -6.38096193
 H                 -5.52342619   -1.52303863   -6.67878693
 H                 -4.55139519    0.71550737   -7.16388293
 C                  2.71444881   -1.80447263    3.61944607
 C                  3.69142881   -1.91440163    4.61802707
 C                  2.80603181   -2.60986863    2.47911607
 C                  4.74360181   -2.82143163    4.48113107
 H                  3.63200881   -1.28192763    5.50111507
 C                  3.86274181   -3.51338763    2.34172507
 H                  2.08676881   -2.52208563    1.67172007
 C                  4.83363881   -3.62313463    3.33850707
 H                  5.49785881   -2.89356863    5.26050107
 H                  3.93208381   -4.11214863    1.43871507
 H                  5.66015181   -4.31886963    3.22235607
 C                 -1.58373919    3.76343837   -3.71752893
 C                 -1.79131919    3.96980237   -5.08671193
 C                 -0.27422619    3.68344737   -3.22525293
 C                 -0.70335319    4.11703437   -5.95204793
 H                 -2.80566419    4.01860337   -5.47598093
 C                  0.81177481    3.82205537   -4.09078993
 H                 -0.09186419    3.50742837   -2.16853593
 C                  0.60100781    4.04815637   -5.45438593
 H                 -0.87589119    4.28006737   -7.01258993
 H                  1.81795881    3.74861437   -3.68939393
 H                  1.44777781    4.16205937   -6.12590993
 N                  2.79863381   -0.73772163   -2.42449493
 S                  3.31768681   -2.11239663   -1.74560693
 O                  2.22942581   -2.58096563   -0.85010893
 O                  3.82062281   -3.06028863   -2.76989893
 C                  4.72114981   -1.75460063   -0.67212493
 C                  4.65103781   -0.66941263    0.20766607
 C                  5.81080081   -2.62485163   -0.64050593
 C                  5.67546781   -0.47115563    1.12871207
 H                  3.80801681    0.01206337    0.17982907
 C                  6.82835181   -2.41518663    0.29264107
 H                  5.85465081   -3.45844663   -1.33350993
 C                  6.77207381   -1.34576563    1.19647407
 H                  5.61472881    0.36677537    1.81898307
 H                  7.67417081   -3.09788563    0.32225207
 C                  7.83857281   -1.14995463    2.24523007
 H                  7.45460181   -1.42466463    3.23668007
 H                  8.72032381   -1.76769963    2.04590507
 H                  8.15802181   -0.10269363    2.30216607
 Cl                 2.55485981    2.25910837   -1.11001693
 C                  2.89814881    0.57651837   -4.47690893
 C                  3.69820681   -0.05400263   -3.37562293
 H                  4.40101781   -0.78891263   -3.79299493
 H                  2.79985481    1.65828737   -4.47398193
 C                  2.22973281   -0.14867663   -5.49476193
 C                  2.26522981   -1.57361363   -5.57716793
 C                  1.49111381    0.54663337   -6.49882193
 C                  1.60954181   -2.24174363   -6.60428593
 H                  2.78906181   -2.14028463   -4.81489793
 C                  0.84305281   -0.13378263   -7.52000393
 H                  1.43891081    1.63078137   -6.45062193
 C                  0.89485781   -1.53469963   -7.58355293
 H                  1.64982281   -3.32789963   -6.64465693
 H                  0.28478781    0.42298737   -8.26860593
 H                  0.38131181   -2.06682863   -8.37954093
 H                  4.28497781    0.71260037   -2.85818193

-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







