%chk=I5-+-s-2-N3-freq.chk
%nprocshared=24
%mem=124GB
#p freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

I5-+-s-2-N3-freq

1 1
 C                  0.19090910    0.03636364    0.00000000
 C                  0.29005710   -0.88081036   -1.20430500
 C                  1.36143810   -0.25286336    0.92839600
 C                  0.25076910    1.45884364   -0.55259200
 C                 -0.75355590    2.38295564   -0.74666500
 H                 -1.80261190    2.39278664   -0.49966600
 C                 -0.61088490   -1.76271436   -1.75476100
 H                 -1.60242790   -2.07624336   -1.47050600
 C                  1.42597610   -1.03406636    2.06274400
 H                  0.68208710   -1.58654736    2.61452700
 N                  2.73094310   -0.98645836    2.43037400
 N                 -0.15542690    3.40875564   -1.40099400
 N                  0.02240510   -2.22430836   -2.86423800
 N                  1.37912110    1.97617664   -1.12041500
 N                  1.13308510    3.16099364   -1.62875200
 N                  1.23503110   -1.65789836   -3.00388900
 N                  1.39756710   -0.84518736   -1.99283300
 N                  2.61916310    0.19177564    0.66975500
 N                  3.44860010   -0.24165336    1.58473800
 Cu                 3.11661310    0.91810164   -1.30329100
 O                 -1.04186390   -0.25452836    0.61849900
 C                 -1.40177590    0.51397164    1.77871800
 H                 -2.10059590    1.31278964    1.51033100
 H                 -1.89741590   -0.17278336    2.47009300
 H                 -0.53134290    0.95327064    2.27581100
 C                 -0.50580590   -3.08365436   -3.92177000
 H                  0.36562610   -3.42329936   -4.48907700
 H                 -0.96603290   -3.95718836   -3.45343700
 C                 -0.78823490    4.60306764   -1.98850100
 H                 -1.66213290    4.82421164   -1.37240300
 H                 -0.07147790    5.42005764   -1.89063900
 C                  3.38082110   -1.63206236    3.57727100
 H                  3.71903710   -0.84511436    4.25718100
 H                  2.59556510   -2.19828036    4.08643600
 C                 -1.49555790   -2.35880636   -4.81752700
 C                 -1.37155890   -0.98781836   -5.07633600
 C                 -2.52930090   -3.08029136   -5.42622200
 C                 -2.26719990   -0.34942636   -5.93687700
 H                 -0.57386790   -0.41692536   -4.61198400
 C                 -3.42163890   -2.44265636   -6.29186600
 H                 -2.63562990   -4.14349936   -5.22327000
 C                 -3.29342290   -1.07478536   -6.54861400
 H                 -2.16197090    0.71553764   -6.12555400
 H                 -4.22006490   -3.01328836   -6.75864400
 H                 -3.99023090   -0.57744936   -7.21809900
 C                  4.53612110   -2.53020136    3.17584200
 C                  5.59127510   -2.71328136    4.07830000
 C                  4.56180510   -3.19738336    1.94589500
 C                  6.65466710   -3.56111736    3.75975100
 H                  5.58383810   -2.18699836    5.03009700
 C                  5.63170910   -4.03433936    1.62336700
 H                  3.77849210   -3.03261636    1.21462400
 C                  6.67773610   -4.22344636    2.52927800
 H                  7.46966910   -3.69170936    4.46674800
 H                  5.65203210   -4.52325836    0.65360800
 H                  7.51385010   -4.86810636    2.27233900
 C                 -1.16360290    4.35634064   -3.43464700
 C                 -2.31431590    3.62063364   -3.74678700
 C                 -0.34293390    4.82316064   -4.46842700
 C                 -2.64248290    3.35623464   -5.07734500
 H                 -2.95441790    3.25584764   -2.94699600
 C                 -0.67205990    4.56146964   -5.80131600
 H                  0.55069810    5.39422764   -4.22963800
 C                 -1.82123990    3.82680164   -6.10747600
 H                 -3.53843690    2.78772464   -5.31021600
 H                 -0.03160790    4.93001764   -6.59773000
 H                 -2.07873590    3.62514364   -7.14369000
 N                  4.98347310    0.49045164   -1.56801300
 S                  5.40893610   -1.12118936   -1.63964500
 O                  4.34997010   -1.90817136   -0.98359000
 O                  5.84278110   -1.52375236   -2.99886200
 C                  6.86157510   -1.16475036   -0.58817200
 C                  6.74005210   -0.76818136    0.74932100
 C                  8.06972910   -1.64255936   -1.09261500
 C                  7.84903010   -0.86186436    1.58186800
 H                  5.78835410   -0.41406536    1.12919600
 C                  9.17153210   -1.73398636   -0.23775600
 H                  8.14400810   -1.94500236   -2.13163600
 C                  9.07863010   -1.35221336    1.10637100
 H                  7.75799910   -0.56857036    2.62444800
 H                 10.11425810   -2.11362536   -0.62319900
 C                 10.25456510   -1.47836636    2.04224500
 H                 10.02813310   -2.17994736    2.85555700
 H                 11.14846310   -1.83862836    1.52328700
 H                 10.49592710   -0.51533336    2.50925200
 C                  3.96267410    1.78077364   -3.10855400
 C                  5.35201710    1.34291764   -2.71552700
 H                  5.87784710    0.81125564   -3.51225300
 H                  3.65344210    2.77125464   -2.77257500
 C                  3.20047610    1.21021864   -4.19247000
 C                  3.59150910    0.02884564   -4.86873900
 C                  2.02784310    1.88412764   -4.61958900
 C                  2.84786510   -0.43714736   -5.94577000
 H                  4.45355710   -0.53181536   -4.52537900
 C                  1.29648810    1.41434264   -5.70133500
 H                  1.71045510    2.77963364   -4.09565500
 C                  1.70274310    0.25026264   -6.36648900
 H                  3.15157710   -1.34722636   -6.45458900
 H                  0.40856410    1.94892764   -6.02374500
 H                  1.11954110   -0.12614036   -7.20188500
 H                  5.96577710    2.18547464   -2.38341200

-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







