%nprocshared=24
%mem=124GB
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) nosymm
pop=full empiricaldispersion=gd3 gfinput gfprint scf=(maxcyc=400,xqc)

i3-NF-Sty-PhINTs

1 1
 C                  0.17713600   -0.36870900    0.06551800
 C                  1.32440000   -0.69483500   -0.86727200
 C                  0.69843400   -0.35019300    1.49203000
 C                 -0.34541200    0.98779500   -0.36064200
 C                 -0.21693600    1.56735200   -1.60635700
 H                  0.23907000    1.23499900   -2.52456400
 C                  1.42744500   -1.64467600   -1.85579700
 H                  0.76423300   -2.42560300   -2.18972500
 C                  0.46327000   -1.22755900    2.52890500
 H                 -0.18835100   -2.08053600    2.63253500
 N                  1.26973500   -0.79356900    3.52942600
 N                 -0.75275400    2.79599200   -1.46647400
 N                  2.64229600   -1.41350700   -2.41557700
 N                 -0.96914800    1.87905400    0.46251200
 N                 -1.21197300    2.97796200   -0.20733300
 N                  3.26033400   -0.38311700   -1.83213200
 N                  2.45929200    0.06259200   -0.89397700
 N                  1.63704100    0.54265400    1.91072200
 N                  1.98548600    0.27162500    3.14935600
 Cu                 3.06180700    1.50618300    0.56381100
 O                 -0.75617700   -1.43459400   -0.09221900
 C                 -2.08650700   -1.17167400    0.36443200
 H                 -2.60363800   -0.46161000   -0.29164000
 H                 -2.60478200   -2.13315500    0.33383600
 H                 -2.10215400   -0.78337400    1.38967000
 C                  3.24063800   -2.02890400   -3.60143800
 H                  4.32208000   -1.92959400   -3.47560500
 H                  2.99180100   -3.09167000   -3.58366500
 C                 -0.72613500    3.88702200   -2.44711100
 H                 -1.51600600    3.72131600   -3.18516000
 H                 -0.96186000    4.79562900   -1.88708700
 C                  1.55301900   -1.43427200    4.82602500
 H                  1.62634900   -0.63500500    5.56652500
 H                  0.68910800   -2.05769200    5.06375200
 C                  2.76457200   -1.37347500   -4.88492800
 C                  2.69181300    0.02282500   -4.99921200
 C                  2.41931700   -2.16927600   -5.98274700
 C                  2.27864900    0.61009900   -6.19613600
 H                  2.95052600    0.65392100   -4.15363900
 C                  2.01260100   -1.58022700   -7.18336400
 H                  2.46746300   -3.25239200   -5.89905700
 C                  1.93941900   -0.18955900   -7.29187500
 H                  2.22231700    1.69242500   -6.26735000
 H                  1.74592900   -2.20896700   -8.02864700
 H                  1.61725900    0.26895100   -8.22285300
 C                  2.83119700   -2.24073100    4.74048300
 C                  2.80198100   -3.56779000    4.29347900
 C                  4.06286400   -1.63696800    5.02253400
 C                  3.99068400   -4.28115100    4.12331300
 H                  1.84764500   -4.04115900    4.07468800
 C                  5.25236800   -2.35111000    4.85621600
 H                  4.08899000   -0.60579600    5.36407500
 C                  5.21800800   -3.67272400    4.40173500
 H                  3.95879800   -5.30947600    3.77424700
 H                  6.20281800   -1.87601300    5.08404200
 H                  6.14304200   -4.22680500    4.26812900
 C                  0.63250900    3.98425700   -3.11671600
 C                  0.72341600    4.18193400   -4.49846700
 C                  1.81083700    3.88999600   -2.36153200
 C                  1.97375700    4.29407300   -5.11601900
 H                 -0.18393700    4.24713500   -5.09421600
 C                  3.05899500    4.00330000   -2.97391100
 H                  1.75544700    3.73218000   -1.28985600
 C                  3.14325700    4.20257100   -4.35650800
 H                  2.03096600    4.45047100   -6.19001200
 H                  3.95665000    3.95026500   -2.36468900
 H                  4.11426400    4.28803200   -4.83691500
 N                  5.00606200    1.74403500    1.08754300
 I                  5.84601800    0.17905600    2.13142200
 S                  6.12059700    2.66210000    0.24711900
 C                  5.28125700   -1.44086900    0.89716700
 O                  5.29400000    3.77125400   -0.27693200
 O                  7.30131400    2.98152600    1.07399800
 C                  6.69469400    1.70149600   -1.14937200
 C                  6.08430200   -1.79170500   -0.19069400
 C                  4.09319100   -2.10972400    1.20266500
 C                  5.79713400    1.41070900   -2.17808500
 C                  8.00411000    1.21624800   -1.17609900
 C                  5.67531100   -2.85784500   -0.99376600
 H                  6.99531700   -1.24951900   -0.41527900
 C                  3.70635600   -3.17526800    0.38774900
 H                  3.49271800   -1.82177600    2.05639300
 C                  6.22035100    0.62410800   -3.24597600
 H                  4.77943000    1.77801800   -2.13913900
 C                  8.41043500    0.42626600   -2.25209000
 H                  8.68798400    1.45495100   -0.36878900
 C                  4.49432800   -3.54807600   -0.70444000
 H                  6.28485200   -3.14444300   -1.84583700
 H                  2.78771100   -3.70895600    0.61227100
 C                  7.52861400    0.11907200   -3.30084400
 H                  5.51947600    0.39161500   -4.04361700
 H                  9.42788600    0.04436400   -2.27858200
 H                  4.18708100   -4.37861300   -1.33341900
 C                  7.98149600   -0.71838300   -4.47082400
 H                  8.41832200   -0.08635600   -5.25570800
 H                  8.74762900   -1.44211400   -4.17273900
 H                  7.14451000   -1.26307100   -4.92101600
 C                  1.44032400    7.54209700   -0.88267300
 C                  0.30135900    6.94524900   -0.33659700
 C                  0.42508500    5.82838100    0.49197600
 C                  1.68863200    5.29086400    0.79822700
 C                  2.82925400    5.90544800    0.24448800
 C                  2.70318800    7.01534200   -0.58744100
 H                  1.34678500    8.40459400   -1.53717600
 H                 -0.68496200    7.34451000   -0.55922800
 H                 -0.46463200    5.35390200    0.89508500
 H                  3.81141400    5.48334700    0.42699500
 H                  3.59363900    7.46491400   -1.01943400
 C                  1.76575900    4.10036600    1.66173400
 H                  0.81614400    3.60271200    1.85403600
 C                  2.87522200    3.60202200    2.24088800
 H                  2.81805600    2.75825800    2.92140200
 H                  3.85384200    4.04963500    2.10913600

-Cu -Co -Ag 0
LANL2DZ
****
-N -C -H -O -Cl -S -B -F 0
6-31g*
****
-I     0
LANL2DZ
D   1   1.00
      0.2940000              1.0000000
****

-Cu -I -Ag -Co 0
LANL2DZ







