%nprocshared=24
%mem=22GB
#p b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) integral(grid=superfine) nosymm scf=maxcyc=512

Single point

1 1
 P                 -0.01024800    0.30204200   -3.57355000
 Au                 0.24305300    0.64455200   -1.25428100
 C                  0.10790700    1.82127200   -4.59897200
 H                  1.09151900    2.27782300   -4.45524500
 H                 -0.03124200    1.58285600   -5.65836500
 H                 -0.65847000    2.53435200   -4.28201800
 C                 -1.62574900   -0.44291600   -4.03672800
 H                 -2.43735600    0.22485200   -3.73386100
 H                 -1.67774600   -0.61030500   -5.11762400
 H                 -1.74526400   -1.39783800   -3.51581900
 C                  1.22858400   -0.84202200   -4.30397400
 H                  1.15697700   -1.81502100   -3.80906700
 H                  1.05250300   -0.96643500   -5.37746600
 H                  2.23377600   -0.44184900   -4.14414300
 C                  0.44261100    0.94166600    0.79191900
 C                 -0.47671600    0.15585900    1.73973700
 H                 -1.50666500    0.34001800    1.41427100
 C                  1.31263400    1.83803300    1.28850300
 H                  1.97313300    2.40482700    0.63650900
 H                  1.40474500    2.04877300    2.35412200
 C                 -0.43190500    0.53403100    3.21391000
 C                  0.54838600    0.06140600    4.09818300
 C                 -1.39618200    1.43058300    3.69649800
 C                  0.55255600    0.46706100    5.43532300
 H                  1.31911000   -0.61719800    3.74858500
 C                 -1.38860700    1.84275000    5.02961300
 H                 -2.15933600    1.81017800    3.02074300
 C                 -0.41374500    1.35849400    5.90571400
 H                  1.31720700    0.08712700    6.10722200
 H                 -2.14615500    2.53651300    5.38353500
 H                 -0.40757200    1.67370800    6.94529100
 N                 -0.99053000   -1.93736000    0.35951100
 C                 -2.41810400   -1.75574900    0.09099400
 H                 -2.60376200   -0.70985200   -0.16132100
 H                 -2.69998500   -2.39148300   -0.74813600
 H                 -2.98151400   -2.03713900    0.98212700
 C                 -0.29024000   -1.39206300    1.54164900
 H                 -0.65684600   -1.92399500    2.42594900
 C                  1.13787300   -1.83346500    1.25457700
 O                  2.16083600   -1.69895800    1.83468300
 O                  1.09659000   -2.55841400    0.00332700
 C                 -0.15014800   -2.53576400   -0.42096600
 H                 -0.39765200   -3.01898500   -1.35810000

-C -H -N -P -O -S -F 0
6-311+G(d,p)
****
Au 0
SDD
****

Au
SDD



