%nprocshared=24
%mem=41GB
#p opt=maxstep=10 freq b3lyp genecp nosymm empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) scf=maxcyc=512

Opt freq

1 1
 P                 -0.03123928   -0.05359475   -3.72028844
 Au                 0.41093703    0.17854367   -1.43225612
 C                 -1.69175284    0.51173141   -4.25897300
 H                 -1.81634674    1.56807091   -4.00489615
 H                 -1.80129084    0.38012169   -5.34031449
 H                 -2.46184140   -0.06782895   -3.74184731
 C                  0.09820486   -1.77525378   -4.34085604
 H                 -0.63313696   -2.40545855   -3.82683263
 H                 -0.09205019   -1.80013791   -5.41870953
 H                  1.10103609   -2.16121927   -4.13798231
 C                  1.14779020    0.90459451   -4.75287370
 H                  2.16702943    0.56412555   -4.55090619
 H                  0.92298470    0.76832983   -5.81596210
 H                  1.07395504    1.96575543   -4.49897388
 C                  0.80759506    0.38678006    0.62003846
 C                 -0.01374673   -0.60937725    1.33615664
 H                  0.15461998   -1.60813657    0.93421101
 C                  1.63463944    1.30910104    1.12607741
 H                  2.16048599    2.01715531    0.49329908
 H                  1.81520387    1.40457651    2.19491044
 C                 -1.44536250   -0.36498168    1.60176855
 C                 -1.95336374    0.94264147    1.67805046
 C                 -2.29903617   -1.46196627    1.80517570
 C                 -3.30508337    1.14598575    1.94202533
 H                 -1.28893607    1.78645293    1.52530445
 C                 -3.65267767   -1.25393613    2.06426146
 H                 -1.90167129   -2.47245079    1.76132443
 C                 -4.15510134    0.04961797    2.13194791
 H                 -3.69795521    2.15656470    1.99929714
 H                 -4.31224036   -2.10292281    2.21542219
 H                 -5.20977330    0.21217573    2.33411135
 C                  2.22045029   -0.14289992    4.11296687
 C                  1.09857206    0.63690141    4.56695780
 N                  1.79419300   -0.89080898    3.10838582
 H                  3.23317906   -0.16126030    4.48055016
 N                  0.49757280   -0.76001957    2.84708486
 O                  0.05206560    0.21557673    3.69860465
 O                  0.92527898    1.46960899    5.41997030
 C                  2.58176432   -1.81249028    2.27719224
 H                  2.73186179   -1.33772772    1.30551880
 H                  3.53422832   -1.98657005    2.77362099
 H                  2.02675349   -2.74502029    2.17502353

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

Au 0
SDD







