#
#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 "guessG4_frz1Ang.gbw" end

* xyz 1 1
  Au         -0.03756950189985     -2.50816702130760      0.15404252142699
  C           1.27891036280400     -0.22609818400755      1.56112322196783
  C           0.09932459705284     -0.75782200951546      1.24589575806197
  C           0.25335138475524      1.80099520399154      2.16849171167255
  C           1.46947501652980      1.04930889815594      2.44823480112342
  H           1.52098526080663      0.74848066447897      3.49572102001706
  C          -1.17413048832565     -0.07834116974661      1.64514175394348
  H          -1.87134853225485     -0.76933810630927      2.12322094837619
  H          -1.67000917555442      0.31375498198836      0.75222999814780
  C          -0.95235828504067      1.12891814260804      2.64359059350075
  P          -0.19609043633671     -4.45542400963531     -1.07308688713119
  C           1.39614311902072     -5.09425179025322     -1.65677390071275
  C          -0.94093892327160     -5.84014958498199     -0.17210244972567
  H           2.22436749881109     -0.62868035641776      1.21197890041867
  C          -1.20106904117692     -4.29571301233741     -2.57271346236746
  H          -0.76698696918092     -3.53254577425414     -3.22155448677469
  H          -1.24032798868170     -5.24791908674119     -3.10706789068396
  H          -2.21312850866664     -3.98998048780074     -2.30047284275769
  H           1.87963939509505     -4.34478170930242     -2.28637700897386
  H           1.24927386423922     -6.01190537123073     -2.23128098921391
  H           2.04065720845333     -5.30085527306986     -0.80017684883962
  H          -0.34174706386670     -6.06264022654287      0.71293605723757
  H          -0.98974048353458     -6.72557733778217     -0.81041256832644
  H          -1.94844660477103     -5.56593519694934      0.14666356300260
  H           2.39085510660531      1.54264924800210      2.15497841069696
  H          -1.84119012125298      1.75280036132457      2.66803480836305
  H          -0.76281393715126      0.70138919168775      3.62845585134682
  C           0.21589118499964      2.95340954995929      1.30596893529557
  C          -1.00935190783405      3.39505696278212      0.76868987656930
  C           1.39397272392123      3.64417625122589      0.97541600028865
  C          -1.04728013422688      4.47511635909547     -0.08727631083616
  H          -1.93086242536986      2.88106236951700      1.00467547762828
  C           1.35308023901286      4.74065308297062      0.13287843635780
  H           2.34548161417332      3.34316344322187      1.39081256506314
  C           0.13518119373235      5.14381793432326     -0.39638681765415
  H          -1.98894985923255      4.80362866322071     -0.51101408527029
  H           2.26330745588983      5.27389298884080     -0.10751295544730
  C           0.05632876596748      6.32930976940125     -1.33192443063489
  F          -0.40190344289313      5.96068958707440     -2.54550009712728
  F          -0.79005675744899      7.26751740925599     -0.86292710740452
  F           1.24503059610204      6.92277564505974     -1.51944107062466
*

