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

0 1
 C                 -1.68181823    1.52727270    0.00000000
 C                 -1.34250023    0.76476070   -1.26025300
 C                 -0.47286123    1.63609770    0.91066400
 C                 -2.18985723    2.89424270   -0.40988300
 C                 -2.81672423    3.25434870   -1.58705400
 H                 -3.03945123    2.71488570   -2.49375400
 C                 -2.02690523   -0.26542530   -1.86377400
 H                 -2.90324723   -0.82524230   -1.58139800
 C                 -0.33608423    1.23108770    2.21992900
 H                 -1.01034523    0.75966670    2.91628200
 N                  0.93940577    1.55595370    2.54566100
 N                 -3.11071623    4.56185970   -1.42427400
 N                 -1.34845523   -0.48392830   -3.01919200
 N                 -2.14375723    3.98813870    0.40176900
 N                 -2.69942723    4.99956170   -0.21295900
 N                 -0.31522823    0.36215570   -3.14031300
 N                 -0.31073123    1.11844570   -2.07408300
 N                  0.72040677    2.15954570    0.51785800
 N                  1.57780377    2.10965570    1.50631400
 Cu                 1.48332977    2.43437570   -1.50292400
 O                 -2.68282723    0.73258570    0.65227400
 C                 -3.57382323    1.41247570    1.53802000
 H                 -4.30312823    2.02179570    0.98999200
 H                 -4.10175023    0.62462270    2.08215900
 H                 -3.04636923    2.05436070    2.25268300
 C                 -1.72254423   -1.32683330   -4.15267200
 H                 -0.79713823   -1.51908530   -4.70337300
 H                 -2.09015223   -2.27765730   -3.76008200
 C                 -3.81740123    5.46517870   -2.33741000
 H                 -4.88833123    5.24737270   -2.28045000
 H                 -3.65439923    6.46833270   -1.93316200
 C                  1.64376777    1.32261270    3.80230500
 H                  2.39945377    2.10855570    3.88297000
 H                  0.92187877    1.47554570    4.60990900
 C                 -2.76176923   -0.66175830   -5.03962600
 C                 -2.71833323    0.71582670   -5.29927500
 C                 -3.76212223   -1.43836830   -5.63494300
 C                 -3.66389723    1.30410670   -6.14153500
 H                 -1.94574023    1.33094470   -4.84823600
 C                 -4.70372923   -0.85056930   -6.48442800
 H                 -3.80600023   -2.50605030   -5.43254900
 C                 -4.65793523    0.52250570   -6.73805900
 H                 -3.62069323    2.37325270   -6.32929300
 H                 -5.47627323   -1.46485730   -6.93948300
 H                 -5.39351023    0.98135170   -7.39352500
 C                  2.28773877   -0.05070930    3.90498200
 C                  3.04468877   -0.33498130    5.05048000
 C                  2.16908577   -1.01837630    2.90371200
 C                  3.67707477   -1.57055730    5.19149100
 H                  3.14381977    0.41733470    5.83030600
 C                  2.80047877   -2.25781330    3.04876400
 H                  1.62204277   -0.80627630    1.99125200
 C                  3.55549477   -2.53845730    4.18792400
 H                  4.26473177   -1.77773130    6.08214500
 H                  2.71532477   -2.99311330    2.25360900
 H                  4.05262977   -3.49912330    4.29290100
 C                 -3.32593823    5.35859270   -3.76563200
 C                 -4.24417523    5.21892070   -4.81207200
 C                 -1.95600623    5.43092570   -4.05622700
 C                 -3.80367823    5.16736170   -6.13834700
 H                 -5.30686223    5.15396870   -4.59083000
 C                 -1.51684323    5.37352870   -5.37917900
 H                 -1.23289523    5.51045370   -3.24867000
 C                 -2.43836223    5.24466170   -6.42472400
 H                 -4.52651623    5.06280070   -6.94322400
 H                 -0.45342723    5.43276070   -5.59425100
 H                 -2.09350223    5.20388670   -7.45459800
 N                  3.06950577    1.22916270   -1.38072500
 S                  2.88691877   -0.38339030   -1.12337800
 O                  1.63657477   -0.60270230   -0.36814300
 O                  3.09559477   -1.20740530   -2.34081700
 C                  4.26122177   -0.74822330   -0.02083500
 C                  4.58302077    0.14668670    1.00598000
 C                  4.93623477   -1.96197830   -0.14902500
 C                  5.58705977   -0.18956630    1.90854100
 H                  4.04226777    1.08244870    1.09725300
 C                  5.93521377   -2.28704030    0.77133600
 H                  4.68355177   -2.64078230   -0.95696600
 C                  6.27126477   -1.41278130    1.81347500
 H                  5.83137177    0.49741470    2.71513500
 H                  6.45859777   -3.23533230    0.67723000
 C                  7.32846077   -1.76927930    2.82886700
 H                  6.89246377   -1.83209430    3.83407900
 H                  7.79880977   -2.73176330    2.60347800
 H                  8.11531177   -1.00574930    2.86688400
 Cl                 0.92725077    4.68609270   -1.78800500
 C                  2.89411477    2.43909770   -3.26478500
 C                  3.92085577    1.63639770   -2.51067800
 H                  4.33246877    0.80407370   -3.08768400
 H                  2.92707577    3.51736370   -3.13714500
 C                  2.11747777    1.94745870   -4.37215800
 C                  2.28335677    0.64702170   -4.90667200
 C                  1.17781077    2.81937870   -4.98006500
 C                  1.57039877    0.25783370   -6.03436000
 H                  2.94803877   -0.05691530   -4.42107100
 C                  0.45609477    2.41504170   -6.09354700
 H                  1.01467277    3.79738170   -4.53798100
 C                  0.65494877    1.13465670   -6.62825400
 H                  1.71205077   -0.73831630   -6.44394700
 H                 -0.27260723    3.08477370   -6.53911700
 H                  0.08467377    0.81814970   -7.49719200
 H                  4.74618277    2.26421370   -2.16014800

-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







