%nproc=20
%Mem=40000MB
%Chk=AC01-N-TS1a-2a_SC3_pt4_more
#p SCRF=(PCM,Solvent=Dichloromethane) B3LYP/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 C                 -1.90266600   -0.38923900   -1.26861400
 C                 -1.47773700    0.77308900   -0.88433500
 C                 -1.82078400    2.12929600   -1.32064400
 C                 -2.15103000    2.39685700   -2.66770100
 C                 -1.79216900    3.18276100   -0.38906900
 H                 -1.53227700    2.96616200    0.64314900
 C                 -2.41711000    4.75258700   -2.10796100
 H                 -2.64612500    5.76639500   -2.42327500
 C                 -2.16872600    1.28702900   -3.69492500
 H                 -1.13377800    0.99374900   -3.91453500
 H                 -2.57915800    1.67086800   -4.63780400
 C                 -2.91481100    0.02744000   -3.30905400
 H                 -2.48458400   -0.88194400   -3.72444200
 C                 -4.12999200   -0.08826700   -2.70087500
 C                 -4.78859600   -1.43884500   -2.58912700
 H                 -5.28087800   -1.56488600   -1.61787600
 H                 -4.09095200   -2.26485700   -2.75393400
 H                 -5.57852400   -1.51658000   -3.34891600
 C                 -4.95225500    1.05368300   -2.16775400
 H                 -5.99521400    0.92877100   -2.48383700
 H                 -4.60217700    2.03202000   -2.49387300
 H                 -4.95421000    1.03917000   -1.06980700
 Au                 0.11132900    0.43846500    0.50438500
 P                  1.82951800    0.04675200    2.01976100
 C                  1.76841200    1.12538500    3.50202800
 H                  1.86032100    2.17066700    3.19527500
 H                  2.58468000    0.87261400    4.18642400
 H                  0.81039000    0.99021600    4.01197900
 C                  3.51633700    0.26654900    1.33427000
 H                  3.65345400   -0.40754000    0.48426900
 H                  4.26724600    0.04786900    2.10034400
 H                  3.63688400    1.29717500    0.98925700
 C                  1.79518300   -1.66809900    2.67334800
 H                  0.82775000   -1.85806300    3.14696800
 H                  2.59551000   -1.81171000    3.40642900
 H                  1.92765700   -2.37264200    1.84676600
 C                 -2.10405300    4.48439600   -0.77322600
 H                 -2.09232900    5.28405000   -0.03878500
 C                 -2.43476100    3.71454500   -3.04078600
 H                 -2.68190100    3.92628900   -4.07810300
 C                 -2.51737800   -2.56787600   -0.18971600
 C                 -2.15343800   -3.95311400   -0.75401300
 H                 -3.59245400   -2.39547200   -0.22771400
 H                 -2.93300800   -4.35900100   -1.40283300
 H                 -1.90001800   -4.67498000    0.02178900
 N                 -1.83830200   -1.71047600   -1.19412300
 C                 -0.85146800   -2.44391900   -1.90153000
 O                 -0.03925800   -1.98234300   -2.66245700
 O                 -0.96694800   -3.73597000   -1.56477000
 C                 -1.98463100   -2.29966200    1.22862400
 H                 -0.90228200   -2.47085000    1.23669900
 H                 -2.14540900   -1.23948900    1.45415700
 C                 -2.67129500   -3.16399800    2.26112100
 C                 -2.01837800   -4.26646200    2.82715500
 C                 -3.99070000   -2.88590700    2.64897600
 C                 -2.66892000   -5.07764600    3.76111000
 H                 -0.99204300   -4.48720100    2.54254400
 C                 -4.64355200   -3.69529800    3.57961800
 H                 -4.50612800   -2.02666500    2.22442800
 C                 -3.98348300   -4.79484000    4.13747000
 H                 -2.14710700   -5.92667700    4.19376900
 H                 -5.66433200   -3.46637600    3.87293500
 H                 -4.49022600   -5.42379000    4.86389800

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

Au 0
SDD




