%nproc=20
%Mem=40000MB
%Chk=IE9_GZ_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                -2.19255710    7.41365577    7.24640893
 C                 -3.68810410    4.22092977    7.66668293
 C                 -4.24479210    3.20753477    8.48623193
 C                 -5.03837810    2.17573577    7.96716493
 C                 -5.28845710    2.12500277    6.58954093
 C                 -4.69661510    3.08026377    5.75392293
 C                 -3.88254710    4.12441577    6.25468893
 C                 -3.16373610    4.92838177    5.22096093
 C                 -2.15988010    4.27936177    4.47265593
 C                 -1.44911810    4.93734677    3.46434593
 C                 -1.70752110    6.30338977    3.17368893
 C                 -2.74364210    6.95002477    3.89639993
 C                 -3.45870510    6.26920477    4.89260193
 C                 -0.90330310    8.44752177    2.11416593
 C                 -0.12411010    8.64744677    0.79227493
 C                  0.91858790    7.52128677    0.85742593
 C                  0.12218790    6.32865977    1.46088093
 C                 -0.19456310    9.09973677    3.30772993
 C                 -0.12036310   10.49942577    3.39969993
 C                  0.55064590   11.10731577    4.47340493
 C                  1.13235690   10.33193677    5.48585393
 C                  1.03836290    8.93676877    5.40064193
 C                  0.40067290    8.32391777    4.31462793
 C                  0.55479890   12.61170177    4.58940893
 C                  1.60779290    8.09696977    6.51305493
 C                 -0.40442010    5.37759377    0.38682093
 C                  0.43747290    4.37508777   -0.12811007
 C                 -0.01269310    3.52739777   -1.15166307
 C                 -1.30942210    3.66167877   -1.67363007
 C                 -2.14891110    4.65602577   -1.15284007
 C                 -1.70306210    5.50865677   -0.12911507
 C                  0.87470690    2.41177277   -1.65110807
 C                 -3.52767810    4.86228177   -1.73442107
 P                 -2.66202410    5.53481977    8.49379093
 N                 -0.96135710    6.98242577    2.21021693
 F                 -0.56773310   13.06729377    5.22302893
 F                  0.58831090   13.21669977    3.36521893
 F                  1.62539790   13.06856777    5.30171293
 F                  1.18663590    8.53147677    7.74124793
 F                  2.97268690    8.12452677    6.54097193
 F                  1.23600390    6.78297677    6.40271593
 F                  0.65602790    1.25287377   -0.95902407
 F                  2.19791590    2.71198877   -1.51458507
 F                  0.64854090    2.13469477   -2.96758507
 F                 -4.42527810    5.24734077   -0.78205007
 F                 -3.52138410    5.84081877   -2.68983007
 F                 -4.01129110    3.73244677   -2.32464107
 H                 -1.92215210    8.86866977    2.02713193
 H                  0.32319790    9.65106577    0.71342393
 H                 -0.80936310    8.50034177   -0.06167007
 H                  1.73412590    7.79967977    1.54803893
 H                  1.36193090    7.27153377   -0.11930307
 H                  0.78295890    5.75450877    2.14210493
 H                 -4.03770410    3.20101677    9.55564193
 H                 -5.45050510    1.41768477    8.64143193
 H                 -5.91560410    1.33471577    6.16310093
 H                 -4.84255010    3.02150477    4.66981293
 H                 -1.92593010    3.23157977    4.69226793
 H                 -0.69105410    4.38199777    2.90660793
 H                 -4.27741910    6.78463877    5.40730793
 H                 -2.96516910    8.00593877    3.72533593
 H                 -0.58546310   11.12560677    2.63078593
 H                  0.33318690    7.23525777    4.27771393
 H                  1.62602490   10.80928377    6.33607693
 H                 -1.65911910    2.99837577   -2.46815507
 H                 -2.36943610    6.26923677    0.28791893
 H                  1.45158090    4.25708977    0.26813293
 Cl                -2.17218310    9.61593277    6.35592893
 C                 -3.72131090    6.24417723    9.90259307
 C                 -4.89444923    6.96656954    9.21448275
 H                 -4.67126541    8.00968688    9.13084539
 H                 -5.04392266    6.55443068    8.23841961
 H                 -5.78326192    6.83751278    9.79608086
 C                 -2.85983059    7.27335306   10.65774125
 H                 -3.45214647    8.13435775   10.88737754
 H                 -2.49712248    6.83760647   11.56519248
 H                 -2.03166205    7.56317139   10.04533435
 C                 -4.31768154    5.26534300   10.93109957
 H                 -3.69611948    5.24027549   11.80169260
 H                 -5.30036376    5.58930158   11.20365506
 H                 -4.37092261    4.28635309   10.50256237
 C                 -1.07189810    4.64096877    9.03745393
 C                 -0.00560989    5.67959518    9.43227620
 H                  0.58392072    5.92912358    8.57490275
 H                 -0.48611816    6.56065376    9.80341984
 H                  0.62623007    5.27065092   10.19283051
 C                 -1.25207896    3.64662859   10.19953072
 H                 -1.54745530    2.69423231    9.81146611
 H                 -0.32760176    3.54504199   10.72860733
 H                 -2.00637042    4.00973906   10.86593539
 C                 -0.57276221    3.88793067    7.79029837
 H                 -1.39864436    3.40547404    7.31065863
 H                 -0.12167258    4.58140917    7.11169266
 H                  0.14883239    3.15369420    8.08201406

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

Au 0
SDD


