%nproc=20
%Mem=40000MB
%Chk=IE15_Y_Int1_b
#p SCRF=(PCM,Solvent=Dichloromethane) BP86/genecp opt EmpiricalDispersion=GD3 freq=noraman nosymm
# scf(maxcyc=100) gfinput gfprint

opt freq

1 1
 P                 -0.19118650   -2.09685455   -1.97527331
 C                 -1.06889549   -3.66669476   -1.64940622
 C                 -0.22139540   -4.77418207   -1.76433942
 H                  0.82722343   -4.60351722   -1.98005249
 C                 -0.68615064   -6.06412132   -1.62219752
 H                 -0.01057159   -6.90033276   -1.72116923
 C                 -2.03004180   -6.27106738   -1.34970975
 H                 -2.41646144   -7.27262927   -1.23315559
 C                 -2.87526066   -5.18679306   -1.22426417
 H                 -3.92194167   -5.34512235   -1.00528781
 C                 -2.42202731   -3.87222351   -1.36486315
 C                 -3.45260780   -2.82569194   -1.20119656
 C                 -4.47798770   -2.73203214   -2.13736464
 H                 -4.44165220   -3.34362353   -3.02806390
 C                 -5.54459005   -1.88003004   -1.94881244
 H                 -6.31608117   -1.84843038   -2.70056178
 C                 -5.64185346   -1.09532854   -0.79298133
 C                 -4.58381282   -1.15510207    0.12103663
 H                 -4.58329604   -0.53248849    1.00075347
 C                 -3.52499175   -2.01810729   -0.07305332
 H                 -2.75561737   -2.07293670    0.68150665
 N                 -6.74469586   -0.30501754   -0.56008270
 C                 -6.99928672    0.31112563    0.72691857
 H                 -6.67743341   -0.33716087    1.54962100
 C                 -8.52799788    0.50006349    0.76090312
 H                 -8.99958824   -0.38219235    1.19258102
 H                 -8.82041401    1.37041888    1.34347076
 C                 -8.89517727    0.62996803   -0.71234114
 H                 -8.71233466    1.64417265   -1.06388573
 H                 -9.93515966    0.37864166   -0.90549574
 C                 -7.92794073   -0.35358263   -1.39328190
 H                 -7.69456367   -0.02571589   -2.41309637
 C                 -8.56200260   -1.72968249   -1.47007493
 C                 -9.45719276   -2.00976211   -2.49744245
 H                 -9.68020238   -1.25895928   -3.24099094
 C                -10.07317945   -3.25007460   -2.56960838
 C                 -9.80073176   -4.24309390   -1.63746856
 H                -10.27774625   -5.20851010   -1.70298692
 C                 -8.90877035   -3.95382192   -0.61703224
 C                 -8.29590851   -2.71092364   -0.52487627
 H                 -7.60572793   -2.52525766    0.28298704
 C                 -8.55335648   -5.00265574    0.39947860
 F                 -8.48167590   -4.50517871    1.64722784
 F                 -9.41943300   -6.02347414    0.44538958
 F                 -7.34194673   -5.54798389    0.15677296
 C                -11.01605854   -3.54967331   -3.70222582
 F                -10.37574135   -4.09154663   -4.76127198
 F                  8.86653511    2.52765868   -3.63883698
 C                  8.11005566    3.02953605   -2.65453716
 F                  8.74411363    4.13824610   -2.21830566
 F                  8.17895315    2.14894384   -1.63854194
 C                  6.69287789    3.31519406   -3.06821780
 C                  5.72825822    3.48277741   -2.08479731
 H                  6.00492819    3.38824325   -1.04499257
 C                  4.41426437    3.77797561   -2.43196976
 C                  4.08828163    3.90168134   -3.77572627
 H                  3.07704484    4.12324772   -4.07896874
 C                  5.06268539    3.72587731   -4.74928964
 C                  6.37585958    3.43623550   -4.41313686
 H                  7.12795485    3.30276233   -5.17386184
 C                  4.67817180    3.90339531   -6.19117604
 F                  5.55021215    3.35674887   -7.04939210
 F                  4.58074150    5.20637230   -6.53119973
 F                  3.47927788    3.36298410   -6.47574125
 F                  3.35295904    4.96293018    6.70881735
 C                  2.10351708    4.98741251    6.21475086
 F                  1.36364552    5.68851362    7.08516043
 F                  2.17139045    5.73428338    5.09064799
 C                  1.55897060    3.61435005    5.93656337
 C                  0.19573954    3.38494297    6.06606073
 H                 -0.46634220    4.16711587    6.40332201
 C                 -0.29034221    2.13080615    5.73288420
 C                  0.55791344    1.12070850    5.29610322
 H                  0.13671787    0.16181490    5.03790411
 C                  1.92114428    1.35625177    5.17892303
 C                  2.41577567    2.61700567    5.49646777
 H                  3.47136731    2.82510350    5.40535216
 C                  2.89023134    0.26805462    4.75487253
 H                  3.68086532    0.72633850    4.15048869
 N                  2.26437689   -0.82140843    4.03488265
 C                  1.57972382   -0.63429670    2.86154563
 C                  1.56993360    0.61184118    2.21740683
 H                  2.14860692    1.43231648    2.60701118
 C                  0.77714989    0.82522257    1.11371144
 H                  0.76088747    1.79653651    0.64561181
 C                 -0.01961475   -0.18681317    0.58058939
 C                  0.07986943   -1.45498336    1.15026449
 H                 -0.52907218   -2.26066572    0.76018407
 C                  1.76391917    0.42082301   -2.91944730
 H                  2.36180385   -0.47820458   -2.90357859
 C                  2.23446457    1.56468270   -2.30856424
 H                  3.18659743    1.53149021   -1.80741988
 C                  1.51475364    2.76387538   -2.36173364
 C                  0.27874111    2.74547490   -3.02026162
 H                 -0.34377774    3.62504114   -3.04835766
 C                 -0.16109174    1.61034316   -3.66761995
 H                 -1.09443434    1.64280729   -4.20981238
 C                  0.56712331    0.42468410   -3.62609935
 C                  0.13908782   -0.75756433   -4.39924780
 C                  0.08646861   -0.65729985   -5.78508667
 H                  0.35234057    0.28169771   -6.24930497
 C                 -0.28358285   -1.73690257   -6.56804329
 H                 -0.31561617   -1.63783695   -7.64308232
 C                  3.01006168   -3.13943286    4.42386551
 C                  4.20584907   -2.88709091    3.76372010
 H                  4.45445424   -1.88223202    3.46190237
 C                  5.08575911   -3.92547944    3.49604581
 C                  4.79310755   -5.23037392    3.86519182
 H                  5.48756720   -6.03124130    3.66730102
 C                  3.58249461   -5.47740722    4.49457802
 C                  2.69859815   -4.44594463    4.77981767
 H                  1.77322887   -4.66559641    5.29152917
 C                  3.23410404   -6.86827677    4.94435624
 F                  4.00349191   -7.81841125    4.39702259
 F                  3.35968987   -7.00841800    6.28202704
 F                  1.96175013   -7.19866100    4.66282388
 C                  6.42206489   -3.62394714    2.87703588
 F                  6.89538196   -4.62420662    2.12285836
 F                  6.40817393   -2.52725230    2.10811001
 F                  7.36487728   -3.39459605    3.82043430
 C                  2.10131453   -2.00663512    4.85247249
 H                  1.06410487   -2.35987861    4.84119849
 C                  2.49305009   -1.54155982    6.26868145
 H                  1.61675068   -1.15766600    6.79016078
 H                  2.92445969   -2.34532899    6.86034851
 C                  3.48404059   -0.41635217    5.99793720
 H                  4.46769178   -0.82365740    5.76831004
 H                  3.57759504    0.26813726    6.83723291
 C                 -0.61196771   -2.94173263   -5.96982415
 H                 -0.90169781   -3.78913311   -6.57343755
 C                 -0.57909626   -3.05815666   -4.59109591
 H                 -0.85135011   -3.99752786   -4.13221542
 C                 -0.21500012   -1.97476386   -3.79629764
 N                  2.02019141    3.91228007   -1.79709186
 C                  1.37960745    5.20587096   -1.91841569
 H                  0.91452024    5.33736711   -2.90088547
 C                  2.53005461    6.21314754   -1.73189520
 H                  2.18910463    7.14958765   -1.29734771
 H                  2.99602902    6.42524831   -2.69372904
 C                  3.49806637    5.46235226   -0.82633019
 H                  4.51267268    5.84653561   -0.89511782
 H                  3.17124504    5.52294849    0.21087033
 C                  3.39058262    4.01430696   -1.33662797
 H                  3.58195089    3.30655709   -0.52211463
 C                  0.33062675    5.42473465   -0.84731017
 C                  0.41764212    4.76601986    0.37245809
 H                  1.20158687    4.04491400    0.53949515
 C                 -0.49321589    5.04021890    1.38199208
 C                 -1.51322723    5.96133299    1.19550269
 H                 -2.21182119    6.17341732    1.98995445
 C                 -1.60238189    6.60411375   -0.03170744
 C                 -0.69027185    6.34712061   -1.04506290
 H                 -0.77794985    6.87091351   -1.98501161
 C                 -2.68115744    7.63166282   -0.23082728
 F                 -2.32220717    8.84134742    0.24825659
 F                 -3.82253674    7.31041362    0.40526783
 F                 -3.00278920    7.82399252   -1.51676128
 C                 -0.39154672    4.32960865    2.70184610
 F                 -0.66064779    5.12351248    3.74947134
 F                  0.82660171    3.81135952    2.92486436
 F                 -1.24574362    3.28827016    2.79277810
 C                  0.86181606   -1.67905942    2.26638837
 H                  0.89571317   -2.66857167    2.69116348
 C                 -1.01211904    0.12110004   -0.45030906
 C                 -1.26288551   -0.69589068   -1.55666921
 C                 -2.29333040   -0.37686816   -2.44154734
 H                 -2.48463055   -1.01555448   -3.29159867
 C                 -3.06720873    0.74627983   -2.24667894
 H                 -3.86333911    0.98067030   -2.93656880
 C                 -2.79824389    1.58232792   -1.17348778
 H                 -3.37578102    2.48075303   -1.02515465
 C                 -1.79177122    1.26778537   -0.28649658
 H                 -1.61993199    1.89936148    0.57219904
 C                 -1.75882198    1.83200726    5.85272150
 F                 -2.26703609    1.28753492    4.73152916
 F                 -2.01096872    0.93576139    6.83140196
 F                 -2.50347824    2.90914801    6.12907117
 F                -11.97974975   -4.42167748   -3.36741486
 F                -11.63745865   -2.45560189   -4.16991959
 C                 -6.31329075    1.65311414    0.86991551
 C                 -6.10403309    2.46478644   -0.23826498
 H                 -6.35221651    2.10609623   -1.22420957
 C                 -5.56620385    3.73360331   -0.07866069
 C                 -5.21238894    4.21085980    1.17526340
 H                 -4.80887291    5.20402518    1.29210145
 C                 -5.39270344    3.37969905    2.27189219
 C                 -5.94588178    2.11580428    2.12858287
 H                 -6.08984844    1.49489492    3.00003839
 C                 -5.00026418    3.89965733    3.62685121
 F                 -5.87411840    4.81486220    4.09432600
 F                 -4.92379405    2.94483832    4.56082335
 F                 -3.80278651    4.51724366    3.60594555
 C                 -5.35005781    4.63864843   -1.26041343
 F                 -5.64195707    4.06249814   -2.43380413
 F                 -6.08905085    5.75979797   -1.19340002
 F                 -4.06553002    5.04469575   -1.35605600
 Au                 1.92932890   -2.33716395   -1.10278690
 C                  4.06219943   -2.39923230   -0.31660758
 C                  3.49246828   -3.43395799    0.05521337
 C                  3.22589764   -4.73639241    0.56291264
 C                  4.26731747   -5.66735842    0.56507263
 H                  5.23834723   -5.37751137    0.19256736
 C                  2.79055614   -7.31099042    1.50520271
 H                  2.62141213   -8.31450996    1.86643009
 C                  4.89090114   -1.27031563   -0.67357429
 H                  5.61449706   -1.12983749    0.13293091
 H                  4.27031813   -0.37703769   -0.74036874
 C                  5.66538277   -1.46307598   -2.00831917
 C                  5.28950927   -2.85192320   -2.57218241
 H                  4.64308987   -2.70207904   -3.43354593
 H                  6.21354464   -3.32963999   -2.90516785
 C                  4.82620994   -4.14998215   -2.01706515
 H                  3.79457514   -3.90795138   -1.79385199
 C                  5.27309552   -5.45029855   -1.79611466
 C                  6.41780098   -5.83682599   -0.90590508
 H                  7.05521676   -6.55708868   -1.41601234
 H                  7.01861262   -4.98455681   -0.61120365
 H                  6.04404342   -6.32112274   -0.00364538
 C                  4.70884729   -6.58499666   -2.60011851
 H                  3.81595521   -6.28543974   -3.14403341
 H                  5.44522144   -6.94506816   -3.31941965
 H                  4.45734528   -7.42016627   -1.94681684
 C                  4.04332266   -6.94785179    1.03399560
 H                  4.84733595   -7.66900266    1.02942005
 C                  1.75748524   -6.38675656    1.50949188
 H                  0.78341793   -6.67228453    1.87755233
 C                  1.96763087   -5.10638258    1.03391384
 H                  1.15958748   -4.39172530    1.01348779
 C                  5.24306911   -0.36497346   -2.99792436
 H                  6.12149564   -0.00651188   -3.55376175
 H                  4.52462808   -0.77152956   -3.72593741
 C                  7.18522340   -1.33834500   -1.83563603
 H                  7.49351624   -2.02200206   -1.03276869
 H                  7.67740010   -1.65377658   -2.76533623
 O                  4.65909883    0.71489901   -2.29633949
 C                  4.31679946    1.78596076   -3.14145087
 H                  3.58170408    1.47767303   -3.89488428
 H                  3.88561260    2.56076331   -2.51114621
 H                  5.20033179    2.18312160   -3.65595488
 O                  7.59192769   -0.02278584   -1.49983206
 C                  8.97304553    0.03429079   -1.20782480
 H                  9.21733628   -0.61443397   -0.36136005
 H                  9.57081918   -0.27560487   -2.07186408
 H                  9.20087379    1.06662880   -0.95139239

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

Au 0
SDD


