%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                  2.92161365   -1.52802828   -0.03781945
 C                  1.50851742   -1.39745047    0.00415591
 C                  0.72493565   -2.58393997    0.05599611
 C                  2.72078070   -3.93716470    0.02904153
 H                 -0.35653954   -2.49436585    0.08790518
 H                  3.18991016   -4.91658653    0.03932186
 C                  0.89173993   -0.09641151   -0.00088350
 C                  1.65969047    1.10105874   -0.02226162
 C                  3.75799632   -0.30003376   -0.10531236
 H                  4.49461930   -0.30579103    0.71570870
 H                  4.39137889   -0.33605225   -1.00794563
 C                  3.10484272    1.01932951   -0.09115373
 C                  4.07683762    2.18818326   -0.16031055
 C                  3.48868148    3.50088496    0.40174389
 H                  4.18134923    4.32137110    0.18574732
 H                  3.33263259    3.46935631    1.48234030
 H                  2.52912867    3.73270248   -0.07301951
 C                  5.54829196    1.75771176    0.03115262
 H                  5.76234978    1.41407482    1.04582457
 H                  6.19848746    2.61402115   -0.17792239
 H                  5.81365773    0.95259835   -0.66232506
 P                 -3.53445927    0.27162475    0.01357517
 C                 -4.19416988    1.12633087    1.49900467
 H                 -5.28526411    1.19643184    1.44215209
 H                 -3.76757967    2.13168387    1.55891453
 H                 -3.91122157    0.57012929    2.39712045
 C                 -4.19491392    1.23710602   -1.40215165
 H                 -5.28528169    1.31013026   -1.33505607
 H                 -3.92006179    0.74598470   -2.33988196
 H                 -3.76190226    2.24142540   -1.39152061
 C                 -4.44316597   -1.32290114   -0.04756601
 H                 -4.17105518   -1.93122955    0.81976411
 H                 -4.16820092   -1.86458669   -0.95715505
 H                 -5.52346378   -1.14493177   -0.04227060
 Au                -1.18716748    0.06163440    0.00861024
 C                  1.31987754   -3.83225309    0.06971963
 H                  0.70868409   -4.72822904    0.11147311
 C                  3.51264807   -2.79346997   -0.02510762
 H                  4.59537616   -2.88042297   -0.05822279
 C                  0.88778320    2.35245623   -0.40302753
 H                  0.22905388    2.65293249    0.41909982
 H                  1.52291121    3.20123327   -0.64089877
 H                  0.25222932    2.15618106   -1.27431228

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

Au 0
SDD






