%nproc=20
%Mem=40000MB
%Chk=AC01-N-TS1a-2a_SC3_pt4_less
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                 -1.92826600   -0.38283900   -1.30141400
 C                 -1.47773700    0.76668900   -0.88353500
 C                 -1.81918400    2.12609600   -1.31904400
 C                 -2.14783000    2.39685700   -2.66530100
 C                 -1.79216900    3.18036100   -0.38826900
 H                 -1.53307700    2.96376200    0.64474900
 C                 -2.41631000    4.75178700   -2.10716100
 H                 -2.64532500    5.76559500   -2.42247500
 C                 -2.16552600    1.28462900   -3.68932500
 H                 -1.13137800    0.99934900   -3.92093500
 H                 -2.59595800    1.65566800   -4.62820400
 C                 -2.89401100    0.02104000   -3.28185400
 H                 -2.47258400   -0.88674400   -3.70924200
 C                 -4.12119200   -0.09226700   -2.68487500
 C                 -4.78379600   -1.44044500   -2.58512700
 H                 -5.29687800   -1.56488600   -1.62507600
 H                 -4.08535200   -2.26725700   -2.73953400
 H                 -5.55692400   -1.51098000   -3.36251600
 C                 -4.94665500    1.05208300   -2.16375400
 H                 -5.98721400    0.92157100   -2.48383700
 H                 -4.59577700    2.02882000   -2.49387300
 H                 -4.95341000    1.04237000   -1.06580700
 Au                 0.10972900    0.43846500    0.50358500
 P                  1.82951800    0.04675200    2.01896100
 C                  1.76921200    1.12458500    3.50202800
 H                  1.86112100    2.17066700    3.19527500
 H                  2.58548000    0.87181400    4.18642400
 H                  0.81119000    0.99021600    4.01197900
 C                  3.51633700    0.26654900    1.33507000
 H                  3.65425400   -0.40754000    0.48506900
 H                  4.26724600    0.04706900    2.10114400
 H                  3.63768400    1.29717500    0.99005700
 C                  1.79598300   -1.66809900    2.67334800
 H                  0.82855000   -1.85806300    3.14696800
 H                  2.59631000   -1.81171000    3.40642900
 H                  1.92765700   -2.37264200    1.84756600
 C                 -2.10405300    4.48199600   -0.77242600
 H                 -2.09232900    5.28165000   -0.03798500
 C                 -2.43236100    3.71374500   -3.04078600
 H                 -2.67870100    3.92468900   -4.07810300
 C                 -2.51737800   -2.56387600   -0.19211600
 C                 -2.15263800   -3.94991400   -0.75321300
 H                 -3.59325400   -2.39387200   -0.22771400
 H                 -2.93140800   -4.35660100   -1.40283300
 H                 -1.90161800   -4.67098000    0.02338900
 N                 -1.84150200   -1.70807600   -1.19972300
 C                 -0.85386800   -2.43991900   -1.90073000
 O                 -0.04085800   -1.98154300   -2.66405700
 O                 -0.96454800   -3.73357000   -1.56157000
 C                 -1.98463100   -2.29646200    1.22702400
 H                 -0.90228200   -2.46765000    1.23509900
 H                 -2.14460900   -1.23628900    1.45335700
 C                 -2.67129500   -3.16159800    2.25952100
 C                 -2.01757800   -4.26486200    2.82555500
 C                 -3.99070000   -2.88510700    2.64817600
 C                 -2.66812000   -5.07604600    3.75951000
 H                 -0.99124300   -4.48480100    2.54094400
 C                 -4.64275200   -3.69449800    3.57881800
 H                 -4.50612800   -2.02586500    2.22362800
 C                 -3.98268300   -4.79404000    4.13667000
 H                 -2.14630700   -5.92507700    4.19216900
 H                 -5.66353200   -3.46557600    3.87213500
 H                 -4.48942600   -5.42299000    4.86309800

C H P N O 0
6-31G*
****
Au 0
SDD 
****

Au 0
SDD




