%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                 -0.09097620    2.04987817   -0.09512585
 C                  1.22665626    1.86941957    0.29562893
 C                  3.12981435    0.85452130   -1.05420656
 H                  4.14111356    1.10084499   -0.71807419
 H                  3.19798820    0.45385915   -2.06556724
 C                  2.26732321    2.10161234   -1.02100509
 H                  1.78412232    2.42722280   -1.93712922
 C                  2.30893071    3.01609816    0.10137989
 C                  1.75060815    0.62387289    1.00067370
 H                  0.93340385    0.03625195    1.41849047
 H                  2.42054479    0.90413873    1.81930749
 C                  2.53200289   -0.19181830   -0.06722109
 O                  3.12817439   -2.06467199    1.24605082
 O                  2.21830979   -1.73457271   -1.83727103
 C                  4.06652361   -2.89609558    1.96831470
 H                  4.55894718   -2.31229474    2.74937013
 H                  3.46842083   -3.69614943    2.40176719
 H                  4.81550384   -3.29797022    1.28216813
 C                  1.47651056   -2.74575727   -2.55701230
 H                  1.24532828   -3.58189254   -1.89277819
 H                  0.54971872   -2.32293278   -2.95175707
 H                  2.13243621   -3.06360894   -3.36593028
 H                 -0.26470178    2.97002837   -0.65780971
 C                  3.64755880   -1.00792983    0.60933738
 C                  1.60152877   -1.19206708   -0.78178322
 O                  0.47748972   -1.48681267   -0.42793620
 O                  4.82264903   -0.71231235    0.61011940
 H                  3.11444748    2.84822277    0.81482279
 Au                -1.61809525    0.72172427    0.10989225
 P                 -3.24266022   -0.98514076    0.17866058
 C                 -4.98195459   -0.49633710   -0.14253819
 C                 -2.85634677   -2.27136486   -1.07390296
 C                 -3.29691808   -1.89102429    1.77483413
 H                 -5.05108978   -0.01768077   -1.12347668
 H                 -5.63393661   -1.37552078   -0.11913335
 H                 -5.30684812    0.21659606    0.62071958
 H                 -2.97085230   -1.84539176   -2.07510704
 H                 -3.52589562   -3.13065622   -0.96458597
 H                 -1.81608149   -2.58262849   -0.94459358
 H                 -4.02047381   -2.71084850    1.71846349
 H                 -2.30489690   -2.29503319    1.99613024
 H                 -3.58561537   -1.20566512    2.57671425
 C                  1.88837549    4.46330228   -0.03424213
 H                  1.48531757    4.84211603    0.90935089
 H                  2.76871229    5.05861262   -0.29859877
 H                  1.14300793    4.61036976   -0.82065177

p

1 1
 C                 -0.14326063    2.11631960   -0.25805187
 C                  1.18399791    1.91853848    0.10272218
 C                  2.87918393    0.71374457   -1.35804298
 H                  3.94550878    0.92993520   -1.24349760
 H                  2.74500661    0.21420592   -2.31737631
 C                  2.08674904    2.00398827   -1.32304311
 H                  1.53871686    2.28707669   -2.21513887
 C                  2.26951786    2.99484129   -0.26880445
 C                  1.68430659    0.69486622    0.85367820
 H                  0.85091187    0.14990886    1.29629596
 H                  2.35501895    0.99059478    1.66388785
 C                  2.42615639   -0.20634305   -0.17899802
 O                  3.25568508   -1.91033356    1.23619202
 O                  2.08791529   -2.02144294   -1.65998149
 C                  4.29382731   -2.57042459    1.99883042
 H                  4.73857454   -1.86934344    2.70861931
 H                  3.79411864   -3.38566115    2.51966304
 H                  5.06475378   -2.95295158    1.32618436
 C                  1.33828039   -3.13696047   -2.19346025
 H                  1.12750055   -3.85816160   -1.40039427
 H                  0.40014723   -2.78498565   -2.62920444
 H                  1.97860777   -3.57616637   -2.95679773
 H                 -0.30400239    3.02257515   -0.85033779
 C                  3.63759026   -0.85512535    0.50989800
 C                  1.49618064   -1.32969940   -0.68074502
 O                  0.38809910   -1.57619002   -0.24801409
 O                  4.77125567   -0.42572347    0.46036698
 H                  1.81164640    3.95914419   -0.48071674
 Au                -1.67860626    0.81458174    0.03965732
 P                 -3.31949272   -0.86076157    0.28522841
 C                 -5.05257544   -0.37956351   -0.07896321
 C                 -2.96356990   -2.28545942   -0.81702944
 C                 -3.36777544   -1.58231625    1.97290456
 H                 -5.11852264   -0.00889292   -1.10594133
 H                 -5.72079658   -1.23826547    0.04145007
 H                 -5.36006612    0.41836504    0.60310739
 H                 -3.07724284   -1.97399198   -1.85957242
 H                 -3.64788857   -3.11397482   -0.60790995
 H                 -1.92840282   -2.59893686   -0.65661111
 H                 -4.09904234   -2.39596296    2.01709914
 H                 -2.37659836   -1.96941168    2.22620955
 H                 -3.63934189   -0.80875613    2.69658940
 C                  3.52420958    3.09664550    0.57727064
 H                  4.20971404    3.79834811    0.09048971
 H                  3.28293279    3.48898079    1.56964658
 H                  4.05047902    2.14700262    0.69540048

ts

1 1
 C                 -0.29224453    1.68130634   -0.37110363
 C                  0.96611781    1.35471273   -0.03114787
 C                  3.43907658    1.23877635   -0.09464664
 H                  3.90700980    1.58158490    0.83201064
 H                  4.21081864    1.22095310   -0.86596752
 C                  2.24882941    2.14607090   -0.49338661
 H                  2.21573134    2.33436041   -1.56649432
 C                  2.07188375    3.34415180    0.32264018
 C                  1.44703090    0.16191843    0.76633628
 H                  0.74900206   -0.67397617    0.70054020
 H                  1.56879141    0.42749561    1.82500478
 C                  2.83353615   -0.16256632    0.16806394
 O                  3.30208421   -2.26146069    1.14122771
 O                  3.88042974   -1.18934342   -1.68532676
 C                  4.00031811   -3.13419231    2.05654482
 H                  3.84298154   -2.80338720    3.08597263
 H                  3.57120974   -4.12276790    1.89880696
 H                  5.06972378   -3.13593631    1.83245342
 C                  3.87755196   -1.94376988   -2.91652219
 H                  3.43082136   -2.92756258   -2.75311881
 H                  3.31329516   -1.41014727   -3.68526117
 H                  4.92445925   -2.03823525   -3.20204045
 H                 -0.41162714    2.64131473   -0.88338594
 C                  3.67889648   -0.97402586    1.15083688
 C                  2.67813060   -0.95097752   -1.13911533
 O                  1.62566495   -1.30283672   -1.62996807
 O                  4.53397728   -0.51696328    1.87985747
 H                  1.07027341    3.48944006    0.72556996
 Au                -1.95230130    0.50269564   -0.09687636
 P                 -3.85513725   -0.85850922    0.18515130
 C                 -5.45728330    0.04090834    0.14062707
 C                 -4.03570100   -2.16642500   -1.09360328
 C                 -3.89734154   -1.77663040    1.77687542
 H                 -5.56492084    0.54652414   -0.82339316
 H                 -6.29055075   -0.65576939    0.28037832
 H                 -5.47550715    0.79300958    0.93466461
 H                 -4.10783916   -1.70240255   -2.08138470
 H                 -4.93366450   -2.76353682   -0.90465122
 H                 -3.15593345   -2.81611045   -1.07636245
 H                 -4.79976182   -2.39389849    1.83896568
 H                 -3.01324698   -2.41649792    1.85054856
 H                 -3.88536586   -1.06598755    2.60827088
 C                  3.00250593    4.36510896    0.55824749
 H                  2.58149387    5.30524393    0.26877370
 H                  3.24876929    4.38997971    1.59922578
 H                  3.88780506    4.17962632   -0.01336571

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

Au 0
SDD








