#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guessG21_frz1Ang.gbw" end

* xyz 1 1
  Au         -0.02693827512993     -2.52529810824902      0.18017804078237
  C           1.37014793333280     -0.22311271382147      1.46894233153104
  C           0.17439804022987     -0.74377981226678      1.21336062142927
  C           0.36722603865328      1.80687488484451      2.10267825716431
  C           1.58889361094147      1.06440302196015      2.34323091087265
  H           1.66869062628422      0.76303881501379      3.38826754579887
  C          -1.07419659693738     -0.03985394758678      1.62869617570414
  H          -1.78117850528546     -0.70240959775071      2.13115496147414
  H          -1.57552603158818      0.36941105280521      0.74773463255072
  C          -0.81819425642430      1.17779347674720      2.64156108973310
  P          -0.25278518710764     -4.50973566334848     -0.97267684705243
  C          -1.74628177443455     -4.59763828839864     -1.99460348206941
  C           1.10774856686877     -4.85382420744063     -2.11876637058605
  H           2.30383057542880     -0.62636117632214      1.09098401827570
  C          -0.33607137192898     -5.97493165412020      0.08970194496360
  H          -1.19016893012025     -5.88791120642507      0.76402175701452
  H          -0.44237289135069     -6.87667865690191     -0.51800344391097
  H           0.57595315444157     -6.04355897028703      0.68574923379609
  H          -2.62779734334597     -4.48235829418381     -1.36103141632924
  H          -1.79407517716640     -5.55792742508987     -2.51353634218118
  H          -1.73258316353479     -3.78868780611353     -2.72759874514214
  H           1.17474259991258     -4.05106324837090     -2.85568368612386
  H           0.93995734716310     -5.80450260848965     -2.63047679828371
  H           2.04695731419272     -4.90021809233357     -1.56418628611834
  H           2.49869086928611      1.56875149951218      2.03080919855179
  H          -1.71438590544751      1.79102422176337      2.65102607729911
  H          -0.61832910448231      0.74073254524967      3.61857426271730
  C           0.29575955079650      2.92311121065174      1.17062591734494
  C          -0.82732908964001      3.75834515010542      1.17488104413158
  C           1.34278507023774      3.14707672460317      0.26594589404161
  C          -0.88050916769385      4.81350326380953      0.29025517361346
  H          -1.64569966183803      3.62802894217284      1.86909437767383
  C           1.23846875754802      4.18239909531548     -0.63214339592178
  H           2.21925069779451      2.51495444278106      0.22578363739110
  C           0.13849321415428      5.02977142863616     -0.62309454012827
  F          -1.93902018197246      5.62481281479361      0.28789922133960
  F           2.21729926242535      4.40303639553531     -1.51089285632833
  N           0.05776392822060      6.14688860776291     -1.57302520628323
  O           0.10438777867779      5.86799779736153     -2.75117530444862
  O          -0.04937932116142      7.25873508607539     -1.10373360428731
*

