#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.87271467673384     -1.21580905570831      0.59816383221457
  H          -1.76402528991881     -2.14387288734423      0.03544255891219
  H          -2.86190577839810     -0.81930065061493      0.32482629126919
  C          -0.87647587790021     -0.19886227006770      0.15658410021865
  C          -0.47147987030127      0.58242201068112      1.24493606646459
  H           0.40022026241143      1.22054461950210      1.22713609177352
  C          -1.63961842553378      1.08922242326542      2.16943397664781
  H          -1.36299668229126      2.01943027443286      2.64894679373868
  H          -2.63334269107009      1.05138439382279      1.74112243317441
  C          -0.98102386273188     -0.13144162606539      2.57938551572649
  C          -1.67885141977005     -1.39979713952876      2.11106426610785
  H          -1.04135528849256     -2.26444828003902      2.30070660125129
  H          -2.61861529875557     -1.54342999776825      2.64815986472681
  Au         -0.17420614792358     -0.02428838138566     -1.74477082529830
  P           0.62033506422501      0.18152630099848     -3.91332576935138
  C           0.02648019655595      1.67164632315229     -4.75201933042527
  C           2.42557100379144      0.26893082455303     -4.01069374072557
  C           0.15369470436188     -1.19083803674128     -4.99687140847123
  H          -0.93450890221781     -1.25848545337446     -5.04966226888476
  H           0.55814259288700     -1.03185240715294     -5.99919527904742
  H           0.54563001078218     -2.12476715866755     -4.58971985468748
  H          -1.06398193853479      1.65364836977018     -4.79684806382988
  H           0.43223011525079      1.71806232736440     -5.76528383740117
  H           0.34215589013864      2.55389730647364     -4.19215107507690
  H           2.77950911383145      1.12822457487790     -3.43812152527009
  H           2.74054155440211      0.36956501162606     -5.05190535723116
  H           2.85704293940714     -0.63949896537404     -3.58626328571642
  C          -0.05256903377861     -0.17147623096594      3.74606131134251
  C           1.05015197999218     -1.02267016755606      3.72579827373338
  C          -0.28798030209552      0.61743080753153      4.87059638941561
  C           1.90485258393488     -1.07229271347622      4.81904022251645
  H           1.24453168688091     -1.63540524073821      2.85150382787713
  C           0.55952902261846      0.57401953422448      5.97552051813245
  H          -1.15303570748056      1.27264888446992      4.89168638974028
  C           1.66097418678892     -0.28065825117515      5.93462806382589
  H           2.76770679282769     -1.72971128643220      4.80075826666880
  C           0.29479550489830      1.42487463395324      7.19090308786103
  H           2.33349010045901     -0.32585608620321      6.78610155185131
  H           0.14208529264693      0.80124423133883      8.07608352289408
  H           1.14316984343920      2.08313714997958      7.39729629045383
  H          -0.59320397860322      2.04424324436165      7.05202509287817
*

