%nprocshared=8
%mem=22GB
#p b3lyp genecp empiricaldispersion=gd3 scrf=(pcm,solvent=dichloromethane) integral(grid=superfine) nosymm scf=maxcyc=512

Single point

1 1
 P                 -0.20978700    0.00288800   -3.70041900
 Au                 0.21311500    0.22479000   -1.38966400
 C                 -1.57615400   -1.15802200   -4.09588700
 H                 -2.49983800   -0.80676700   -3.62726500
 H                 -1.71925300   -1.22091100   -5.17949000
 H                 -1.33787900   -2.15022300   -3.70240500
 C                  1.22833000   -0.62223100   -4.65623800
 H                  1.51927400   -1.60543600   -4.27515800
 H                  0.97309900   -0.70428000   -5.71767600
 H                  2.07069400    0.06489100   -4.53672200
 C                 -0.67909600    1.57256900   -4.52915600
 H                  0.12760200    2.30229200   -4.41554800
 H                 -0.86567400    1.39839100   -5.59388900
 H                 -1.58348400    1.97304300   -4.06241200
 C                  0.50619000    0.45382500    0.63129600
 C                 -0.02779700   -0.61174400    1.56640900
 H                 -0.12833000   -1.52843100    0.97998100
 C                  1.26524700    1.50517300    1.16902800
 H                  1.76747600    2.17995000    0.47910500
 H                  0.93206800    2.00537700    2.07492900
 C                 -1.41779800   -0.32965000    2.14194700
 C                 -1.80064900    0.92318500    2.63856200
 C                 -2.33923400   -1.38557700    2.18079300
 C                 -3.07619400    1.11100600    3.17358700
 H                 -1.11620200    1.76350100    2.61063700
 C                 -3.61310500   -1.19832200    2.71966200
 H                 -2.05681300   -2.36046000    1.79133600
 C                 -3.98551000    0.05191200    3.21798100
 H                 -3.35676000    2.08876800    3.55412700
 H                 -4.31232300   -2.02911000    2.74609600
 H                 -4.97743100    0.20109500    3.63431400
 N                  2.38644200   -0.80847200    2.21704500
 C                  2.82783600   -1.46207000    1.00337400
 H                  2.27213400   -1.07183700    0.12966400
 H                  3.89345100   -1.27484800    0.85843900
 H                  2.64921900   -2.53528300    1.09034900
 C                  1.02602900   -1.00693400    2.71545000
 H                  0.83073900   -2.02753800    3.04210000
 C                  1.03838600   -0.04418600    3.89326800
 O                  0.36628300    0.00821600    4.87794000
 O                  2.04673900    0.88338500    3.62137100
 C                  2.57720700    0.52994400    2.39324500
 H                  3.51255800    1.01036800    2.13031300

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

Au
SDD



