%nprocshared=20
%mem=41GB
#p opt=(qst3,calcfc,noeigentest,maxstep=10) freq=noraman b3lyp genecp nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024) scrf=(pcm,solvent=dichloromethane) gfinput gfprint

sm

1 1
 C                    -0.21737   0.70863   0.16083 
 C                     1.03280   1.01839   0.71409 
 C                     3.07134   0.33213  -0.56533 
 H                     3.99842   0.85162  -0.30162 
 H                     3.20480  -0.15517  -1.53127 
 C                     1.92359   1.34175  -0.626 
 H                     1.41121   1.48291  -1.57246 
 C                     1.72013   2.34178   0.44183 
 C                     1.86353  -0.01654   1.47886 
 H                     1.23901  -0.75864   1.97355 
 H                     2.4816    0.47597   2.23554 
 H                    -0.67093   1.55289  -0.36775 
 H                     2.57365   2.47912   1.10898 
 C                     0.92489   3.58151   0.16228 
 C                     0.01505   4.06545   1.10774 
 C                     1.1038    4.30241  -1.02807 
 C                    -0.71003   5.23594   0.88327 
 H                    -0.13862   3.51849   2.03482 
 C                     0.39099   5.47104  -1.26587 
 H                     1.81176   3.95055  -1.77383 
 C                    -0.5237    5.94715  -0.31254 
 H                    -1.40969   5.57874   1.63585 
 H                     0.5245    6.03303  -2.18464 
 O                    -1.1756    7.09329  -0.64021 
 C                    -2.12068   7.6273    0.28619 
 H                    -2.51425   8.5318   -0.17933 
 H                    -2.94213   6.92335   0.46828 
 H                    -1.64304   7.88551   1.23937 
 Au                   -1.07685  -1.12715   0.06625 
 P                    -1.88368  -3.33085  -0.17616 
 C                    -3.70274  -3.52661  -0.32193 
 C                    -1.18711  -4.11908  -1.68042 
 C                    -1.38559  -4.43072   1.20384 
 H                    -4.06521  -2.94818  -1.17642 
 H                    -3.96118  -4.58142  -0.46062 
 H                    -4.18373  -3.15186   0.5861 
 H                    -1.5615   -3.60053  -2.56787 
 H                    -1.47322  -5.17482  -1.72638 
 H                    -0.0985   -4.02288  -1.65538 
 H                    -1.71429  -5.45675   1.00944 
 H                    -0.29748  -4.3959    1.29838 
 H                    -1.83423  -4.07517   2.13593 
 N                     2.76368  -0.65667   0.49374 
 S                     2.35591  -2.2268   -0.03992 
 O                     1.62947  -2.87387   1.06377 
 O                     1.74459  -2.19987  -1.38203 
 C                     3.9844   -2.9681   -0.1894 
 H                     4.45295  -2.96667   0.79516 
 H                     3.83824  -3.98656  -0.55631 
 H                     4.57065  -2.38766  -0.90437 
 
p

1 1
 C                     0.25142   0.32378  -0.39411 
 C                     1.45363   0.51781   0.40829 
 C                     2.70417  -0.85823  -1.28524 
 H                     3.25041   0.05813  -1.5318 
 H                     2.95193  -1.62317  -2.0213 
 C                     1.19018  -0.62019  -1.36986 
 H                     0.70011  -0.46547  -2.32596 
 C                     2.24371   1.81145   0.39533 
 C                     2.11448  -0.71335   1.03648 
 H                     1.39356  -1.46497   1.35398 
 H                     2.66497  -0.36776   1.91664 
 H                    -0.08626   1.25937  -0.85076 
 H                     3.0178    1.79997   1.16545 
 C                     1.56038   3.13136   0.1994 
 C                     0.57342   3.55578   1.09475 
 C                     1.92162   3.98323  -0.85534 
 C                    -0.05094   4.79507   0.95148 
 H                     0.27871   2.90772   1.91659 
 C                     1.31091   5.22148  -1.01062 
 H                     2.69222   3.6787   -1.55862 
 C                     0.31773   5.63751  -0.10911 
 H                    -0.81465   5.08916   1.66117 
 H                     1.5855    5.88483  -1.82448 
 O                    -0.22315   6.86053  -0.34916 
 C                    -1.23988   7.33948   0.53028 
 H                    -1.52217   8.32224   0.15051 
 H                    -2.11641   6.67983   0.5233 
 H                    -0.86559   7.43849   1.55666 
 Au                   -1.46212  -0.72861  -0.1221 
 P                    -3.35032  -2.13067   0.06493 
 C                    -4.98908  -1.30424   0.05849 
 C                    -3.40759  -3.33619  -1.3181 
 C                    -3.33037  -3.1585    1.58327 
 H                    -5.10147  -0.72271  -0.86092 
 H                    -5.78984  -2.04845   0.11849 
 H                    -5.05908  -0.6266    0.91418 
 H                    -3.5667   -2.80125  -2.25892 
 H                    -4.21868  -4.05542  -1.16518 
 H                    -2.44695  -3.85508  -1.3718 
 H                    -4.18203  -3.84642   1.58751 
 H                    -2.39323  -3.71999   1.60852 
 H                    -3.38035  -2.51187   2.4641 
 N                     3.08759  -1.28651   0.0799 
 S                     3.49334  -2.93511   0.26388 
 O                     3.35054  -3.24932   1.69407 
 O                     2.79805  -3.77693  -0.72789 
 C                     5.23723  -2.90509  -0.16252 
 H                     5.75326  -2.26245   0.55134 
 H                     5.59794  -3.93432  -0.10074 
 H                     5.34373  -2.52615  -1.18078 
 
ts

1 1
 C                    -0.21737   0.70863   0.16083 
 C                     1.0328    1.01839   0.71409 
 C                     2.66971   0.09571  -0.7787 
 H                     3.45881   0.85458  -0.79662 
 H                     2.79859  -0.56475  -1.6363 
 C                     1.30379   0.78277  -0.82913 
 H                     0.98817   1.23358  -1.76475 
 C                     1.72013   2.34178   0.44183 
 C                     1.86353  -0.01654   1.47886 
 H                     1.23901  -0.75864   1.97355 
 H                     2.4816    0.47597   2.23554 
 H                    -0.67093   1.55289  -0.36775 
 H                     2.57365   2.47912   1.10898 
 C                     0.92489   3.58151   0.16228 
 C                     0.01505   4.06545   1.10774 
 C                     1.1038    4.30241  -1.02807 
 C                    -0.71003   5.23594   0.88327 
 H                    -0.13862   3.51849   2.03482 
 C                     0.39099   5.47104  -1.26587 
 H                     1.81176   3.95055  -1.77383 
 C                    -0.5237    5.94715  -0.31254 
 H                    -1.40969   5.57874   1.63585 
 H                     0.5245    6.03303  -2.18464 
 O                    -1.1756    7.09329  -0.64021 
 C                    -2.12068   7.6273    0.28619 
 H                    -2.51425   8.5318   -0.17933 
 H                    -2.94213   6.92335   0.46828 
 H                    -1.64304   7.88551   1.23937 
 Au                   -1.07685  -1.12715   0.06625 
 P                    -1.88368  -3.33085  -0.17616 
 C                    -3.70274  -3.52661  -0.32193 
 C                    -1.18711  -4.11908  -1.68042 
 C                    -1.38559  -4.43072   1.20384 
 H                    -4.06521  -2.94818  -1.17642 
 H                    -3.96118  -4.58142  -0.46062 
 H                    -4.18373  -3.15186   0.5861 
 H                    -1.5615   -3.60053  -2.56787 
 H                    -1.47322  -5.17482  -1.72638 
 H                    -0.0985   -4.02288  -1.65538 
 H                    -1.71429  -5.45675   1.00944 
 H                    -0.29748  -4.3959    1.29838 
 H                    -1.83423  -4.07517   2.13593 
 N                     2.76368  -0.65667   0.49374 
 S                     2.7065   -2.35868   0.36613 
 O                     2.31745  -2.86976   1.68975 
 O                     1.94194  -2.78645  -0.82053 
 C                     4.43746  -2.73545   0.07341 
 H                     5.01215  -2.39716   0.93606 
 H                     4.51109  -3.81821  -0.05087 
 H                     4.75902  -2.22625  -0.83713

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

Au 0
SDD


