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

Opt freq

1 1
 C                 -0.05683616   -1.67469464   -1.42346696
 C                  1.21211473   -2.46877301   -1.09687891
 H                  2.09871996   -1.85487362   -1.27740943
 C                 -1.24965541   -2.27491033   -0.84454872
 H                 -2.22160044   -2.08935871   -1.29217894
 N                  0.04751771   -3.11872870    0.95669030
 C                  0.01231020   -3.56605815    2.36251761
 H                 -0.59790639   -2.86949042    2.94092354
 H                 -0.43409929   -4.56215554    2.39643702
 H                  1.02502447   -3.60210655    2.76160540
 C                  1.16801084   -2.76743043    0.38326508
 H                  2.06830122   -2.80183555    0.98601373
 C                 -1.19055974   -3.01888314    0.29209881
 H                 -2.03741204   -3.43880618    0.81509015
 H                 -0.14501464   -1.44593456   -2.48858944
 P                  0.01495401    2.40911466    0.49939007
 Au                -0.02303006    0.27556005   -0.47861881
 C                 -0.99545314    2.55459358    2.02691096
 H                 -0.62452455    1.84960215    2.77648293
 H                 -0.94111973    3.57237935    2.42733156
 H                 -2.03649012    2.30903351    1.79875931
 C                 -0.61035101    3.74109915   -0.60009722
 H                 -1.65113676    3.53585374   -0.86634870
 H                 -0.54758211    4.71118663   -0.09621861
 H                 -0.01239597    3.76804842   -1.51553198
 C                  1.68995803    2.97374346    0.99725557
 H                  2.34215557    2.99651311    0.11966011
 H                  1.63789280    3.97503053    1.43721981
 H                  2.10898745    2.27650611    1.72842398
 H                  1.35341138   -3.39657408   -1.61080539

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

Au
SDD



