#
#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 "guesspsminG9_IRC_310.gbw" end

* xyz 1 1
  Au         -0.15269974123335     -1.88546365721984      0.13323542540445
  C           1.04690366558990      0.51057819652150      1.45903071476236
  C          -0.10049846284532     -0.04319242797628      1.07080468544178
  C           0.01928166113910      2.57067521490167      1.77128894047427
  C           1.15696969956362      1.83528902582027      2.29491986785893
  H           1.04723259142633      1.60134016038379      3.35387456724445
  C          -1.40137506935158      0.66615229083100      1.27442025797208
  H          -2.14563721299207      0.02672012814776      1.75324751745968
  H          -1.80388410917655      0.95427071802182      0.29886202834790
  C          -1.26734600095571      1.98569709983704      2.13751182487979
  P          -0.23490318222677     -3.94552773948852     -0.90183624386951
  C           0.02886846926165     -3.88445313288677     -2.69341770661713
  C           0.99843723652566     -5.12774728136513     -0.29806396111301
  H           2.02067121469011      0.09578837706669      1.21997803110758
  C          -1.82071101226210     -4.79959103961240     -0.70287055722247
  H          -2.61993212246971     -4.18549273224862     -1.12231776950902
  H          -1.79754365963317     -5.76506164854634     -1.21385541541555
  H          -2.01882746572647     -4.95511161393744      0.35940846722042
  H          -0.73445879539802     -3.25255437345490     -3.15155244349241
  H          -0.02717825273758     -4.88922202431416     -3.11891229890567
  H           1.01081209014853     -3.45534610392826     -2.90201704207112
  H           1.99954643130972     -4.72355885496189     -0.46009192202816
  H           0.90068223106532     -6.07956512257144     -0.82554937424886
  H           0.85428639361469     -5.28854360564669      0.77206906322834
  H           2.12537258720907      2.28557289194835      2.09940830946530
  H          -2.12279654574242      2.63121259677543      1.95930128385554
  H          -1.23448843803904      1.68355978871281      3.18461281007832
  C           0.14708949415759      3.63065922995159      0.79848340263108
  C          -0.95017185489470      3.98164102235511     -0.00788113279885
  C           1.36401097650782      4.31582832776828      0.64288578641268
  C          -0.82938514224105      4.97109356586425     -0.96220855405422
  H          -1.89463281425315      3.46457672560450      0.09414574498369
  C           1.48436932446222      5.32406133238927     -0.29303890659474
  H           2.21189203456197      4.08142377700922      1.27138785148293
  C           0.38801031278863      5.64006063928606     -1.09486068345094
  H          -1.66635294052088      5.23337093248715     -1.59684009164048
  H           2.41519088995717      5.86507904537419     -0.40706297674025
  C           0.51306513062023      6.68765382894157     -2.07873610647160
  N           0.61144138810029      7.52204444215929     -2.86244539406759
*

