%nprocshared=24
%mem=41GB
#p opt freq b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) nosymm scf=maxcyc=512

Opt freq

1 1
 C                 -2.07597392   -1.61967124   -0.50995075
 C                 -1.84528021   -1.11328780    0.79880154
 C                 -2.70732708   -0.86016141   -1.50736866
 H                 -2.84896111   -1.25127764   -2.50630966
 N                 -2.75521576    1.01827764   -0.04294386
 C                 -3.05433955    2.41871025    0.24153427
 H                 -2.24849103    2.84744615    0.84350848
 H                 -3.13912621    2.97691041   -0.69224376
 H                 -3.99563930    2.49905127    0.79951787
 C                 -2.67756262    0.12214457    1.12729621
 H                 -3.70550222   -0.15966598    1.42460886
 C                 -2.96133433    0.48079649   -1.24976305
 H                 -3.26085065    1.16364969   -2.03897355
 H                 -1.74723786   -2.62468225   -0.75639955
 P                  2.36615493    0.38352747   -0.18376667
 Au                 0.21908116   -0.39720596    0.22390641
 C                  2.51775530    2.20200693   -0.00034513
 H                  2.25292449    2.48790346    1.02134884
 H                  3.54441269    2.51792844   -0.21257821
 H                  1.83267425    2.69656852   -0.69462653
 C                  2.96681829    0.02012513   -1.87852854
 H                  2.29154001    0.47521503   -2.60825518
 H                  3.97600391    0.42178148   -2.01537506
 H                  2.98016371   -1.06181931   -2.03626395
 C                  3.63220488   -0.32048317    0.94075192
 H                  3.65435536   -1.40793117    0.82814653
 H                  4.61876042    0.09142502    0.70404011
 H                  3.37417127   -0.07837873    1.97541867
 H                 -2.23930399    0.69462403    1.94574268
 H                 -1.62288357   -1.77141196    1.61262727

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

Au
SDD



