%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                 -0.36977033    0.47632191   -0.22887085
 C                  0.91201271    0.24316489    0.10033898
 C                  3.38541739    0.35726915    0.05292696
 H                  3.81689475    0.67731613    1.00506673
 H                  4.15818069    0.46229656   -0.71038524
 C                  2.11858071    1.17756528   -0.29507353
 H                  2.07206512    1.43470678   -1.35329049
 C                  1.83007707    2.29621402    0.59823379
 C                  1.49722929   -0.95246567    0.82006513
 H                  0.87876269   -1.84196424    0.69128418
 H                  1.59059556   -0.74963156    1.89536830
 C                  2.90962148   -1.10797349    0.21460448
 O                  3.56475549   -3.21692386    1.04831326
 O                  4.05230022   -1.90664058   -1.69372742
 C                  4.33672247   -4.08282025    1.90929346
 H                  4.14629878   -3.83857881    2.95714524
 H                  4.00031902   -5.09328550    1.68106190
 H                  5.40256724   -3.97200764    1.69588311
 C                  4.12259305   -2.57259282   -2.97301484
 H                  3.76711001   -3.60178016   -2.88069910
 H                  3.51454099   -2.04140338   -3.70936320
 H                  5.17471895   -2.55176422   -3.25418475
 H                 -0.57466424    1.45413963   -0.67629956
 C                  3.82226717   -1.90420460    1.14843379
 C                  2.83139153   -1.81639097   -1.14424999
 O                  1.81717522   -2.22828483   -1.66782806
 O                  4.62949792   -1.42196509    1.91483054
 H                  2.07142501    2.12873977    1.64722755
 C                  1.19481825    3.50120665    0.28142801
 C                  0.87398727    4.40893236    1.33674893
 C                  0.83550710    3.87132642   -1.05506262
 C                  0.23874083    5.60531976    1.09409415
 H                  1.13857243    4.14329228    2.35604683
 C                  0.19669291    5.05788494   -1.30497545
 H                  1.06950898    3.21230315   -1.88309484
 C                 -0.11217695    5.94130006   -0.23665044
 H                  0.01007987    6.27267914    1.91502069
 H                 -0.08285372    5.35367877   -2.30998697
 O                 -0.73008499    7.06264874   -0.59053551
 C                 -1.08705237    8.03799324    0.40778864
 H                 -1.57177701    8.84419309   -0.14071175
 H                 -1.78353684    7.60767675    1.13364233
 H                 -0.19241290    8.41415837    0.91289445
 Au                -1.91606107   -0.86434527   -0.05080129
 P                 -3.68744820   -2.40904065    0.12039070
 C                 -5.36494343   -1.65816434    0.12129129
 C                 -3.74333834   -3.63782194   -1.24541788
 C                 -3.65097009   -3.43345608    1.64602361
 H                 -5.51506528   -1.09996224   -0.80738628
 H                 -6.13150807   -2.43564906    0.20567789
 H                 -5.45454760   -0.96666981    0.96407858
 H                 -3.85422654   -3.11609615   -2.20026807
 H                 -4.58359697   -4.32562187   -1.10584520
 H                 -2.80792862   -4.20444053   -1.26362158
 H                 -4.49339211   -4.13304739    1.65762619
 H                 -2.71234123   -3.99376997    1.68482523
 H                 -3.70683878   -2.78294833    2.52357329

p

1 1
 C                  1.08384412    0.49833212   -1.13706491
 C                  0.42601399   -0.71916116   -1.09367451
 C                 -0.08996344   -1.65277492    1.00524118
 H                 -0.54549691   -0.80694477    1.52867531
 H                  0.14918837   -2.41866433    1.74494768
 C                  1.09580606   -1.19816258    0.14572424
 H                  1.79477057   -2.01732250   -0.06222525
 C                  1.87534678    0.19810995    0.16736532
 C                 -0.70447471   -1.60293982   -1.48378845
 H                 -0.33540668   -2.43386153   -2.09664576
 H                 -1.52442331   -1.12336209   -2.02099346
 C                 -1.12751139   -2.19107240   -0.06758823
 O                 -3.43418938   -2.45907422   -0.46411674
 O                 -1.56989508   -4.22167243    1.04808090
 C                 -4.83239649   -2.12455122   -0.31359619
 H                 -5.03431928   -1.15124732   -0.76723440
 H                 -5.37441318   -2.90852977   -0.84025007
 H                 -5.10433293   -2.10550226    0.74377432
 C                 -1.56544118   -5.66205347    1.16859776
 H                 -2.16819834   -6.10611204    0.37283799
 H                 -0.54260038   -6.04146400    1.10953856
 H                 -1.99954015   -5.87176457    2.14516915
 H                  1.27815466    1.20418976   -1.94461836
 C                 -2.55794780   -1.73191947    0.23595246
 C                 -1.07729634   -3.72584253   -0.09412731
 O                 -0.61992436   -4.39926515   -0.99328819
 O                 -2.86245418   -0.79823423    0.95403352
 H                  1.56305927    0.81501417    1.01550585
 C                  3.37623028    0.15779788    0.08587843
 C                  4.16141698    0.63192956    1.14064137
 C                  4.03194956   -0.37504071   -1.03814849
 C                  5.55763973    0.58218369    1.09673828
 H                  3.67974234    1.05063331    2.02145159
 C                  5.41765930   -0.43362714   -1.09933972
 H                  3.44937866   -0.74737095   -1.87772019
 C                  6.19366100    0.04530282   -0.03007493
 H                  6.12944865    0.96223563    1.93495633
 H                  5.92568876   -0.84341592   -1.96678629
 O                  7.54283340   -0.05388475   -0.18834421
 C                  8.38319905    0.42047921    0.86097837
 H                  9.40664206    0.24406037    0.52672590
 H                  8.23723829    1.49387763    1.03641761
 H                  8.20565222   -0.12726721    1.79515796
 Au                -0.86738864    1.48790865   -0.39607170
 P                 -2.68264445    2.63922314    0.44553164
 C                 -2.63191180    4.45329939    0.19906859
 C                 -4.26739113    2.07099200   -0.27238143
 C                 -2.85336604    2.36500965    2.24707369
 H                 -2.59523379    4.67714279   -0.87062705
 H                 -3.52508831    4.91058300    0.63695090
 H                 -1.73874361    4.86352696    0.67831785
 H                 -4.27025535    2.23376408   -1.35333456
 H                 -5.09745863    2.61922710    0.18457708
 H                 -4.36794570    1.00373177   -0.06304349
 H                 -3.75526336    2.86323956    2.61770621
 H                 -2.92241785    1.28824087    2.41969009
 H                 -1.97581923    2.75953304    2.76599264

ts

1 1
 C                  0.75311073    0.31949922   -1.19809142
 C                  0.25980364   -0.96861006   -1.05617599
 C                 -0.11203375   -2.02645508    1.01409339
 H                 -0.59362338   -1.23435788    1.59510641
 H                  0.20228072   -2.80954363    1.70613718
 C                  1.00797574   -1.46253424    0.13144788
 H                  1.74410092   -2.22779511   -0.14298401
 C                  1.79511236   -0.05685537    0.32078640
 C                 -0.83269793   -1.90007886   -1.44355759
 H                 -0.44198519   -2.67842994   -2.10970271
 H                 -1.70109471   -1.44668234   -1.92440929
 C                 -1.16072099   -2.57666019   -0.04172964
 O                 -3.46251656   -2.96459929   -0.35963465
 O                 -1.43665404   -4.67902747    0.99155165
 C                 -4.87025634   -2.72204687   -0.13831535
 H                 -5.14747378   -1.74295967   -0.53633504
 H                 -5.38737479   -3.51235256   -0.68032475
 H                 -5.09806182   -2.76770252    0.92862650
 C                 -1.34321145   -6.12052816    1.04240363
 H                 -1.95205357   -6.56325148    0.25054179
 H                 -0.30339881   -6.43460523    0.92497746
 H                 -1.72283440   -6.40035904    2.02408252
 H                  1.55938472    0.83723067   -1.71771684
 C                 -2.60142294   -2.21876124    0.33957461
 C                 -1.02233018   -4.10281103   -0.14398821
 O                 -0.56477800   -4.70572485   -1.09178479
 O                 -2.92929655   -1.33886021    1.11314152
 H                  1.48341323    0.50076230    1.20923609
 C                  3.29102833   -0.00301118    0.17847451
 C                  4.09098506    0.46884995    1.22310851
 C                  3.92875189   -0.44353790   -0.99479704
 C                  5.48464384    0.50527274    1.12197153
 H                  3.62326138    0.81714826    2.14129845
 C                  5.31171177   -0.41577358   -1.11320026
 H                  3.33401915   -0.81152238   -1.82773143
 C                  6.10283852    0.05965715   -0.05350038
 H                  6.06813552    0.88037104    1.95434953
 H                  5.80576552   -0.75420668   -2.01866050
 O                  7.44763226    0.04917075   -0.26930896
 C                  8.30238245    0.52483249    0.76773563
 H                  9.31937709    0.42577022    0.38538438
 H                  8.10164735    1.57836855    1.00018951
 H                  8.19655783   -0.07469319    1.68075843
 Au                -0.92970286    1.70177176   -0.42795962
 P                 -2.44285649    3.22095279    0.42727716
 C                 -2.06022304    4.97726635    0.07635722
 C                 -4.14383212    2.93709112   -0.18575815
 C                 -2.56390448    3.06999883    2.24729171
 H                 -2.04009743    5.13922100   -1.00487613
 H                 -2.82430526    5.61886138    0.52707630
 H                 -1.08028154    5.22892908    0.49120231
 H                 -4.17473887    3.04632266   -1.27299127
 H                 -4.82765105    3.65649675    0.27601243
 H                 -4.43471947    1.92052564    0.08802492
 H                 -3.33239673    3.75024512    2.62900486
 H                 -2.82774307    2.03629081    2.48358071
 H                 -1.60009992    3.31116127    2.70329109

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

Au 0
SDD




