%nproc=24
%mem=122000MB
#p SCRF(SMD,Solvent=dichloromethane) opt freq B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=100)

Title Card Required

0 1
 Ag                -0.54776200   -1.21344600    0.81411900
 N                 -0.59817600    1.77587900   -0.22105100
 N                  0.60762000    1.31508400   -0.67659900
 N                  1.58606200   -1.40996000   -0.19504100
 N                  2.40462000   -0.32758600   -0.02899000
 N                  0.43540300    0.21127600    2.24885500
 N                  1.31284200    1.13573500    1.75117100
 B                  1.80594400    1.06852100    0.28678200
 C                 -1.39113300    1.91046700   -1.28768000
 C                 -0.67374700    1.53519000   -2.44350300
 C                  0.60197700    1.16751100   -2.02870400
 C                  2.35602400   -2.46087100   -0.48938300
 C                  3.69833100   -2.03550900   -0.51671800
 C                  3.70358100   -0.67665500   -0.21709100
 C                  0.17178600    0.53461800    3.51825600
 C                  0.89806300    1.69633400    3.83665600
 C                  1.61218600    2.05951300    2.69898000
 H                  2.66556300    1.89244900    0.12984800
 C                  2.53420000    3.21370700    2.48327000
 C                  1.77489100    0.70637400   -2.82928800
 C                  4.84797700    0.27674600   -0.11655800
 C                  1.78872600   -3.82032900   -0.73382800
 C                 -2.80762100    2.37516600   -1.16762700
 C                 -0.75743900   -0.25877600    4.37540200
 Br                 5.19915900   -3.11975400   -0.90461500
 Br                -1.30859700    1.55766100   -4.23140600
 Br                 0.90122200    2.57544100    5.51086300
 H                  5.79028700   -0.26173000   -0.24864800
 H                  4.78777700    1.05576100   -0.88536500
 H                  1.93377400   -0.37342100   -2.72576000
 H                  1.61045000    0.92503400   -3.88831100
 H                  2.69487300    1.20836200   -2.51179500
 H                  3.54419100    2.87927800    2.22196700
 H                  2.17934500    3.86075500    1.67391000
 H                  2.59590900    3.80944800    3.39782600
 H                  4.86939400    0.77476300    0.85857700
 H                 -1.63897700    0.33172500    4.65365900
 H                 -0.26662000   -0.56728800    5.30577700
 H                 -2.94506500    2.93576400   -0.23891400
 H                 -3.08111900    3.01829400   -2.01143000
 H                 -1.09439500   -1.15642800    3.84758600
 H                 -3.50848300    1.53244700   -1.15360900
 H                  2.26479900   -4.56829400   -0.08903900
 H                  0.71328100   -3.82224300   -0.53065700
 H                  1.94727000   -4.13845400   -1.77176900
 N                 -2.30956100   -2.18234800   -0.09575700
 S                 -3.72621600   -2.46071800    0.91239900
 O                 -4.67984100   -3.32743600    0.20805500
 O                 -3.14531000   -2.87967900    2.19501600
 C                 -4.38272900   -0.81761100    1.05969600
 C                 -5.46890800   -0.43964700    0.26458500
 C                 -3.77687900    0.07468500    1.94963600
 C                 -5.94815100    0.86260000    0.37164600
 H                 -5.92446400   -1.14557500   -0.42032700
 C                 -4.26833800    1.37522800    2.03107100
 H                 -2.94433200   -0.23981900    2.56747700
 C                 -5.35369200    1.78913700    1.24419500
 H                 -6.79061800    1.16827900   -0.24265800
 H                 -3.79725000    2.07832300    2.71227400
 C                 -5.85785700    3.20811300    1.29972600
 H                 -6.94411000    3.23745300    1.44616500
 H                 -5.38487300    3.77315400    2.10849100
 H                 -5.64618000    3.72790900    0.35610700
 C                 -2.37294100   -2.53978000   -1.32006300
 C                 -3.24731300   -2.86411000   -2.45049700
 C                 -1.64129700   -2.38884600   -2.56276100
 H                 -1.01372200   -3.20596200   -2.90782400
 H                 -1.36010300   -1.38224400   -2.86665600
 H                 -3.33478600   -3.92014200   -2.69480700
 C                 -4.41181700   -1.99414100   -2.77834400
 C                 -4.27073500   -0.61410900   -2.97658500
 C                 -5.69025900   -2.56747400   -2.84845800
 C                 -5.38739300    0.17991900   -3.24045500
 H                 -3.29069000   -0.15289100   -2.93383100
 C                 -6.80692900   -1.77141900   -3.10880500
 H                 -5.80857200   -3.63496300   -2.68639000
 C                 -6.65957200   -0.39432700   -3.30417400
 H                 -5.25907900    1.24790200   -3.39285300
 H                 -7.79178900   -2.22771500   -3.15914700
 H                 -7.52930500    0.22398000   -3.50886500

-H -B -C -N -O -F -Br -S 0
6-31g*
****
-Ag 0
SDD
****

-Ag 0
SDD







