#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%scf guess moread
moinp "preC19.gbw" end
%geom inhess read
inhessname "preC19.hess"
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -1.14665387267961     -0.92929443954958      3.01598451936046
  H          -0.43360515655582     -1.49936439417423      2.40058795371727
  H          -1.45721636203390     -1.59941827145888      3.83310794258338
  C          -2.35529906361208     -0.64240532155840      2.23047770828866
  C          -3.46149134680637     -0.36343591260636      1.76453898549663
  H          -4.51326290534341     -0.16694293053997      1.59056897617406
  C          -0.56056498204895      2.52180160462095      2.42500123664221
  H          -0.19744871340962      3.26050172080046      1.70552955309678
  H          -1.40338714244746      2.81875743301346      3.05541257550709
  C           0.00417385151691      1.31503054776775      2.56950178612376
  C          -0.50573823325687      0.33922869121157      3.60479486567185
  H           0.30870303544652      0.01804750357427      4.27202319997960
  H          -1.24157531514773      0.85137397370968      4.23996329245605
  Au         -2.18574159489039     -0.31915496880537     -0.03883787312977
  P          -1.41026200615493     -0.21825094648856     -2.22038908009437
  C          -2.60404749787406     -0.90940178468917     -3.40026833446290
  C          -1.08480694401402      1.47073936730738     -2.79517889765116
  C           0.11550802347182     -1.17144661796386     -2.45675797147936
  H          -0.09467114009521     -2.23546265179547     -2.27574488020823
  H           0.48548112467659     -1.04026782972744     -3.48447546288097
  H           0.88660716737744     -0.84379943951823     -1.74716473323419
  H          -2.81044986575696     -1.95958962793367     -3.14952689396547
  H          -2.19185806326744     -0.85065480340254     -4.41885428557857
  H          -3.54341342321648     -0.34013248359595     -3.35456704762056
  H          -2.02930167412488      2.03375461745188     -2.80914250398847
  H          -0.65723950840487      1.44737389299236     -3.80853459753738
  H          -0.38595449320269      1.97631255287748     -2.11591120333708
  C           1.14462273828697      0.89376548325514      1.70368383769533
  C           2.08054659433017     -0.04580974399316      2.14831846874656
  C           1.30529703924661      1.42300871557390      0.41663206980736
  C           3.15694920305376     -0.44146188893121      1.34682255724860
  H           1.99646814573835     -0.49091027334559      3.14043979373353
  C           2.36752865573457      1.03583686343366     -0.40362949383055
  H           0.58753760731446      2.14533956046976      0.02461637494193
  C           3.29201295137683      0.09718775892872      0.06556856150334
  N           4.38870107054920     -0.34315653631617     -0.80366162430041
  O           5.45895674586464     -0.55221620333449     -0.28464143640530
  O           4.14156303860269     -0.46896250567787     -1.98069445337302
  C           4.06624668818703     -1.42651275909931      1.87744999692163
  N           4.74472768262379     -2.22077790080302      2.37085789165307
  C           2.45848557018413      1.62812233289245     -1.71526587123325
  N           2.45094245076123      2.15414263542762     -2.74417110303813
*

