%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                 -0.36415414    0.47751753   -0.24362543
 C                  0.91622321    0.24101386    0.08888485
 C                  3.39046427    0.33886293    0.02693105
 H                  3.83781313    0.66442188    0.96979011
 H                  4.15396547    0.42969311   -0.74749723
 C                  2.12660192    1.16698510   -0.31321858
 H                  2.07517736    1.42635362   -1.37055745
 C                  1.84672575    2.28512441    0.58339602
 C                  1.49586920   -0.95158482    0.81754391
 H                  0.87164787   -1.83830993    0.69820009
 H                  1.59355130   -0.74066892    1.89097360
 C                  2.90537303   -1.12157183    0.20865482
 O                  3.54859200   -3.22387692    1.06759703
 O                  4.03669249   -1.95378782   -1.69195055
 C                  4.31597538   -4.08367788    1.93871343
 H                  4.13082270   -3.82267071    2.98348326
 H                  3.97040716   -5.09446507    1.72614779
 H                  5.38206148   -3.98495971    1.72061477
 C                  4.09852750   -2.63566965   -2.96322774
 H                  3.73067782   -3.65933256   -2.85866382
 H                  3.49671855   -2.10586440   -3.70568911
 H                  5.15075629   -2.63082473   -3.24475880
 H                 -0.56354024    1.45327539   -0.69803932
 C                  3.81619041   -1.91191161    1.14921810
 C                  2.81775232   -1.84563404   -1.14137491
 O                  1.79862772   -2.25413121   -1.65810151
 O                  4.62932543   -1.42555375    1.90671409
 H                  2.09091002    2.11448214    1.63119652
 C                  1.21594010    3.49415195    0.27173731
 C                  0.89998489    4.39885837    1.33092348
 C                  0.85476519    3.87013721   -1.06246096
 C                  0.26668063    5.59751498    1.09401342
 H                  1.16587560    4.12883029    2.34873107
 C                  0.21799916    5.05907000   -1.30669730
 H                  1.08640928    3.21406351   -1.89346007
 C                 -0.08696811    5.93906227   -0.23449858
 H                  0.04110453    6.26207531    1.91799406
 H                 -0.06261979    5.35926129   -2.31009792
 O                 -0.70387115    7.06292505   -0.58271337
 C                 -1.05732287    8.03468712    0.42036165
 H                 -1.54269924    8.84352228   -0.12367633
 H                 -1.75233194    7.60210595    1.14629929
 H                 -0.16112662    8.40800450    0.92481470
 Au                -1.91773948   -0.85339474   -0.05681534
 P                 -3.69942905   -2.38424754    0.12963269
 C                 -5.36866711   -1.61632600    0.16956353
 C                 -3.79383491   -3.59923321   -1.24634631
 C                 -3.64304879   -3.42329455    1.64466336
 H                 -5.53059968   -1.04906658   -0.75164343
 H                 -6.14195795   -2.38606780    0.26265629
 H                 -5.43451537   -0.93064708    1.01927946
 H                 -3.92048410   -3.06735354   -2.19361595
 H                 -4.63658703   -4.28171063   -1.09566989
 H                 -2.86378191   -4.17318678   -1.28964030
 H                 -4.49227506   -4.11432646    1.66720481
 H                 -2.70971742   -3.99357909    1.65932811
 H                 -3.67420130   -2.78025321    2.52892087

p

1 1
 C                 -0.31785711   -0.31374965   -1.23184702
 C                  0.41497921    0.72033962   -0.79037381
 C                  1.35606781    2.99987590   -0.51796003
 H                  0.74610015    3.48222061    0.25052517
 H                  1.90443015    3.77937925   -1.04801715
 C                  0.47652655    2.10266682   -1.43637230
 H                  1.03591102    2.02588355   -2.38377650
 C                 -0.83684716    2.72049395   -1.75504735
 C                  1.36006227    0.73973579    0.40321531
 H                  1.93048271   -0.18491899    0.50334484
 H                  0.79573505    0.89245664    1.33328725
 C                  2.28326303    1.96828131    0.16697989
 O                  3.80251201    1.68586402    1.94684900
 O                  4.25213590    2.64374652   -0.95495005
 C                  4.40383041    2.06465150    3.20410556
 H                  3.64583141    2.09600313    3.99058465
 H                  5.14593968    1.29547456    3.41425468
 H                  4.87763082    3.04529319    3.11447595
 C                  5.37904666    2.42520362   -1.83088848
 H                  6.00790110    1.62043796   -1.44238315
 H                  5.03251700    2.16429569   -2.83405704
 H                  5.92412668    3.36825319   -1.84422828
 H                 -0.93045078   -0.10831297   -2.11881415
 C                  2.85020074    2.50726317    1.47813688
 C                  3.43408817    1.59320684   -0.77533445
 O                  3.58094638    0.51721396   -1.31562796
 O                  2.46892018    3.50862320    2.04740814
 H                 -0.96898549    3.04395533   -2.78738061
 C                 -1.95427577    2.78426555   -0.94561498
 C                 -3.18765448    3.25733315   -1.51381698
 C                 -1.95418372    2.39991314    0.44369602
 C                 -4.34537051    3.31041717   -0.78162595
 H                 -3.19589429    3.56465967   -2.55528785
 C                 -3.09977505    2.45676212    1.18136878
 H                 -1.03145301    2.07861762    0.91181401
 C                 -4.31497277    2.90699991    0.58115589
 H                 -5.26332682    3.65837363   -1.23714842
 H                 -3.12371517    2.17745977    2.22872513
 O                 -5.35918228    2.92093011    1.38461231
 C                 -6.65021946    3.36959759    0.91218980
 H                 -7.31401680    3.26979654    1.76905416
 H                 -6.59357876    4.41509395    0.59701649
 H                 -6.99363371    2.73418281    0.09154409
 Au                -0.35483427   -2.20582252   -0.43039071
 P                 -0.36634950   -4.38593753    0.47499555
 C                 -1.93312957   -5.31902454    0.23646843
 C                  0.92273820   -5.50032862   -0.21719760
 C                 -0.08424362   -4.45195006    2.29115507
 H                 -2.14176566   -5.41326760   -0.83317568
 H                 -1.85693230   -6.31692118    0.68087311
 H                 -2.75710605   -4.77452587    0.70684349
 H                  0.76911059   -5.60705997   -1.29507191
 H                  0.87523366   -6.48678268    0.25603778
 H                  1.91098490   -5.06297290   -0.04759828
 H                 -0.09630697   -5.48775792    2.64687038
 H                  0.88362459   -3.99917699    2.52540967
 H                 -0.86754395   -3.88384626    2.80152369

ts

1 1
 C                 -1.00568389   -0.78527807   -0.76713363
 C                 -0.08393109    0.12688552   -0.42127577
 C                  1.11977870    2.27930186   -0.14864173
 H                  0.77933381    2.69022615    0.80557260
 H                  1.58909614    3.08643397   -0.71217183
 C                 -0.05172330    1.57806829   -0.89557720
 H                  0.23491806    1.59599899   -1.96042301
 C                 -1.33389250    2.31986282   -0.77726549
 C                  1.13300060   -0.08170013    0.46966893
 H                  1.61405866   -1.04714182    0.30566478
 H                  0.84479055   -0.02186745    1.52805341
 C                  2.08322277    1.10365416    0.13884579
 O                  3.97228669    0.47765304    1.40192582
 O                  3.75547995    1.79544995   -1.38313152
 C                  4.91126857    0.63823774    2.48741345
 H                  4.38781797    0.61084767    3.44623774
 H                  5.60124296   -0.20017535    2.40069075
 H                  5.44225371    1.58820209    2.38841381
 C                  4.59173878    1.62572783   -2.54795879
 H                  5.21508175    0.73501508   -2.43788425
 H                  3.97477210    1.52958510   -3.44496024
 H                  5.20705364    2.52326549   -2.59742030
 H                 -1.80166910   -0.41898425   -1.42775629
 C                  3.01910514    1.41737122    1.30364545
 C                  2.90968485    0.78683870   -1.11400061
 O                  2.80391238   -0.21149704   -1.79472303
 O                  2.89948770    2.35352029    2.06619587
 H                 -2.23729016    1.71147767   -0.81650759
 C                 -1.50731588    3.65409968   -0.46480651
 C                 -2.83970251    4.13277301   -0.21283982
 C                 -0.42202286    4.59856289   -0.37513959
 C                 -3.08339944    5.43455673    0.14099485
 H                 -3.66686559    3.43381299   -0.29305941
 C                 -0.65648048    5.89719210   -0.03109864
 H                  0.58833438    4.27831417   -0.59967520
 C                 -1.98859962    6.33612576    0.23810559
 H                 -4.09460704    5.76608604    0.33788497
 H                  0.14245325    6.62686139    0.03836992
 O                 -2.09919501    7.60861987    0.56158229
 C                 -3.39259666    8.19039470    0.84427074
 H                 -3.18672921    9.23212012    1.08349955
 H                 -4.03615132    8.12451842   -0.03726357
 H                 -3.85295966    7.68953210    1.70004363
 Au                -1.02559133   -2.76329711   -0.20974362
 P                 -1.02328793   -5.04200806    0.40688386
 C                 -2.68436055   -5.82703134    0.49008580
 C                 -0.07400844   -6.13315097   -0.72934743
 C                 -0.29230599   -5.37701719    2.06091259
 H                 -3.16910094   -5.75844996   -0.48811288
 H                 -2.59729678   -6.87961334    0.77920565
 H                 -3.30083045   -5.29926839    1.22363870
 H                 -0.50924322   -6.07942584   -1.73159009
 H                 -0.09729334   -7.17019541   -0.37821118
 H                  0.96343248   -5.79004491   -0.78102020
 H                 -0.31666917   -6.44894101    2.28443573
 H                  0.74370253   -5.02625982    2.07832447
 H                 -0.85703271   -4.83415795    2.82456503

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

Au 0
SDD




