%nprocshared=20
%mem=41GB
#p opt=maxstep=17 freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

0 1
 C                  1.98387296   -2.57833457    0.23249526
 C                  0.70061808   -2.15640085   -0.18381034
 C                 -0.20045761   -3.13993814   -0.63415432
 C                  1.41588351   -4.89451468   -0.23464947
 H                 -1.18892495   -2.83363322   -0.97013436
 H                  1.69583788   -5.94470089   -0.25266803
 C                  0.34775692   -0.71422189   -0.12843494
 C                  1.34670352    0.21796698   -0.13698191
 C                  2.93376567   -1.51165633    0.69886275
 H                  2.67721003   -1.22711881    1.73190633
 H                  3.96251618   -1.87673057    0.70359125
 C                  2.81349160   -0.26446417   -0.19999989
 H                  2.99638603   -0.60051467   -1.23544651
 C                  3.99143819    0.72457953    0.08153589
 C                  4.02254002    1.20276543    1.54109768
 H                  4.78052255    1.97906414    1.68937933
 H                  4.24354701    0.37556440    2.22157610
 H                  3.05545949    1.62380857    1.82769372
 C                  4.04106207    1.91456288   -0.89359611
 H                  5.04720387    2.34630909   -0.89354736
 H                  3.35320853    2.71533465   -0.62068949
 H                  3.81383153    1.58725347   -1.91367341
 P                 -3.97617952    0.27329451    0.20496177
 C                 -4.42879570    1.24388503    1.70151372
 H                 -5.50773392    1.43037278    1.73038058
 H                 -3.89537659    2.19892708    1.69168577
 H                 -4.13248810    0.68912548    2.59658349
 C                 -4.67705265    1.25796984   -1.18273941
 H                 -5.74353206    1.44932944   -1.02290259
 H                 -4.54301731    0.71030532   -2.12018963
 H                 -4.14445801    2.21066392   -1.25711869
 C                 -5.07393139   -1.20023481    0.29422920
 H                 -4.79763565   -1.80623694    1.16208428
 H                 -4.94501728   -1.80507171   -0.60809875
 H                 -6.12252252   -0.89625963    0.38139226
 Au                -1.67933103   -0.22887728    0.00281622
 C                  0.14966729   -4.49116880   -0.66521976
 H                 -0.56653504   -5.22669818   -1.02352035
 C                  2.32610423   -3.93139618    0.21142164
 H                  3.31898591   -4.23231229    0.54042543
 O                  5.14812622   -0.10530195   -0.22446484
 C                  6.41294603    0.31598689    0.24816605
 H                  6.50211400    0.23888687    1.34085789
 H                  7.14726770   -0.35523172   -0.20715863
 H                  6.66185412    1.34644214   -0.04523043
 C                  1.01580112    1.72022398   -0.20997164
 C                  0.84818939    2.33812271   -1.44955984
 C                  0.88354699    2.46311929    0.96312833
 C                  0.54905852    3.69876009   -1.51595541
 H                  0.95328049    1.75232755   -2.37424447
 C                  0.58335472    3.82396819    0.89691081
 H                  1.01544280    1.97623951    1.94020592
 C                  0.41623712    4.44188871   -0.34235630
 H                  0.41755007    4.18599945   -2.49299166
 H                  0.47873228    4.40936666    1.82202540
 H                  0.18032190    5.51467654   -0.39495493

C H P O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




