%nproc=12
%Mem=20000MB
%Chk=IE9_Cy_tBu_AuCl
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

0 1
 Au                -2.19534469    7.41552250    7.25011631
 C                 -3.69089169    4.22279650    7.67039031
 C                 -4.24757969    3.20940150    8.48993931
 C                 -5.04116569    2.17760250    7.97087231
 C                 -5.29124469    2.12686950    6.59324831
 C                 -4.69940269    3.08213050    5.75763031
 C                 -3.88533469    4.12628250    6.25839631
 C                 -3.16652369    4.93024850    5.22466831
 C                 -2.16266769    4.28122850    4.47636331
 C                 -1.45190569    4.93921350    3.46805331
 C                 -1.71030869    6.30525650    3.17739631
 C                 -2.74642969    6.95189150    3.90010731
 C                 -3.46149269    6.27107150    4.89630931
 C                 -0.90609069    8.44938850    2.11787331
 C                 -0.12689769    8.64931350    0.79598231
 C                  0.91580031    7.52315350    0.86113331
 C                  0.11940031    6.33052650    1.46458831
 P                 -2.66481169    5.53668650    8.49749831
 N                 -0.96414469    6.98429250    2.21392431
 H                 -1.92493969    8.87053650    2.03083931
 H                  0.32041031    9.65293250    0.71713131
 H                 -0.81215069    8.50220850   -0.05796269
 H                  1.73133831    7.80154650    1.55174631
 H                  1.35914331    7.27340050   -0.11559569
 H                  0.78017131    5.75637550    2.14581231
 H                 -4.04049169    3.20288350    9.55934931
 H                 -5.45329269    1.41955150    8.64513931
 H                 -5.91839169    1.33658250    6.16680831
 H                 -4.84533769    3.02337150    4.67352031
 H                 -1.92871769    3.23344650    4.69597531
 H                 -0.69384169    4.38386450    2.91031531
 H                 -4.28020669    6.78650550    5.41101531
 H                 -2.96795669    8.00780550    3.72904331
 Cl                -2.17497069    9.61779950    6.35963631
 C                 -0.19444788    9.10427480    3.31632583
 C                  1.30152530    8.89726246    3.19393678
 C                 -0.54215776   10.57829934    3.37010913
 H                 -0.56606096    8.59933135    4.24643614
 C                  2.04879064    9.59778272    4.31036505
 H                  1.65262651    9.29327286    2.20486267
 H                  1.53196153    7.80048346    3.21857671
 C                  0.20451044   11.27864197    4.48707432
 H                 -0.28318395   11.05843633    2.38993164
 H                 -1.64603044   10.69864487    3.52315667
 C                  1.70042776   11.07111324    4.36622600
 H                  3.15262767    9.47845477    4.15612475
 H                  1.79141458    9.11648388    5.29040976
 H                 -0.02552531   12.37545991    4.46217719
 H                 -0.14775543   10.88282438    5.47586518
 H                  2.21728440   11.54625903    5.24012047
 H                  2.07345957   11.57786978    3.43757590
 C                 -0.41126797    5.37212755    0.38224704
 C                 -0.78851229    6.16164568   -0.85473186
 C                  0.64139233    4.32837864    0.06754451
 H                 -1.32402060    4.86822714    0.79593336
 C                 -1.23853481    5.24813880   -1.97657458
 H                  0.09439454    6.76364374   -1.19596160
 H                 -1.61050774    6.88155224   -0.60435179
 C                  0.19100304    3.41436511   -1.05376419
 H                  1.59577283    4.83862898   -0.22766613
 H                  0.85397962    3.72056147    0.98504460
 C                 -0.18765222    4.20307672   -2.29069398
 H                 -1.44958728    5.85618476   -2.89430133
 H                 -2.19396503    4.73928887   -1.68228984
 H                  1.01311795    2.69477293   -1.30448329
 H                 -0.69132614    2.81200146   -0.71153119
 H                 -0.57581293    3.50483571   -3.07706958
 H                  0.72503557    4.70542384   -2.70661980
 C                 -3.71852331    6.24231050    9.89888569
 C                 -4.89166163    6.96470281    9.21077538
 H                 -5.77204569    6.86709711    9.81102286
 H                 -4.65294538    8.00113607    9.09364016
 H                 -5.06509610    6.52779695    8.24956065
 C                 -4.32809308    5.35964473   11.00384082
 H                 -3.69200452    5.37499325   11.86410576
 H                 -5.29445098    5.73547419   11.26804649
 H                 -4.42135582    4.35518621   10.64709842
 C                 -2.85704299    7.27148633   10.65403387
 H                 -3.38738463    8.19821541   10.72339495
 H                 -2.64599365    6.90684199   11.63759510
 H                 -1.93918991    7.42447800   10.12579220
 C                 -1.25486656    3.64849532   10.20323809
 H                 -1.55176400    4.17897616   11.08377315
 H                 -2.00805142    2.93301722    9.94691084
 H                 -0.32997477    3.14262014   10.38644693
 C                 -0.57554981    3.88979740    7.79400575
 H                 -1.41411892    3.56312727    7.21522386
 H                  0.03312720    4.54210884    7.20332642
 H                  0.00114437    3.04094148    8.09693720
 C                 -1.07468569    4.64283550    9.04116131
 C                 -0.00839749    5.68146191    9.43598358
 H                  0.47595746    6.04791623    8.55506842
 H                 -0.47602909    6.49482170    9.95044109
 H                  0.71574147    5.22329051   10.07676570

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

Au 0
SDD


