#
#Opt
#
! optts 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 "prehessTSEG10.gbw" end
%geom inhess read
inhessname "prehessTSEG10.hess"
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
Au   -0.016465111835     -1.584325301314      0.226366919095
C     1.227850489662      0.749887239734      0.814162757233
C     0.057884588554      0.351944306942      1.070949547339
C     0.446735333017      2.986989736041      1.631136063145
C     1.754152398010      2.673531602585      1.804826300659
H     2.074475209017      2.140522363810      2.692768287438
C    -1.082966333083      1.035993252880      1.725883974374
H    -1.607497943864      0.378570751920      2.419814435601
H    -1.793905492391      1.324478498302      0.946943896828
C    -0.562893298812      2.299123794829      2.480713898376
P    -0.247516511965     -3.691159862631     -0.636471891948
C     0.216669909247     -3.797981530805     -2.381856791656
C     0.769394696436     -4.933323964701      0.197237213609
H     2.190509944682      0.679030721788      0.342120840834
C    -1.941543848454     -4.317140247997     -0.538920361393
H    -2.608813566316     -3.648780425396     -1.086322834447
H    -1.993184073196     -5.319158370229     -0.971136761242
H    -2.256531841009     -4.353853592895      0.505619218809
H    -0.428401782905     -3.122650747423     -2.965241449706
H     0.065302341528     -4.822395681916     -2.742188916976
H     1.245915636067     -3.505077688643     -2.511222076270
H     1.822225764533     -4.657304657987      0.113964907270
H     0.611139875757     -5.912316385234     -0.261269112239
H     0.497529382611     -4.976744996306      1.253535772985
H     2.527788469205      3.105556746898      1.180074521115
H    -1.422962010185      2.931038295420      2.700726319501
H    -0.106669729829      1.981669966542      3.418624061225
C    -0.016376486632      3.832209308863      0.502467273486
C    -1.134459844460      4.652844165879      0.644228294169
C     0.664714232051      3.820929147196     -0.720127375408
C    -1.544796530652      5.456833814108     -0.413767077025
H    -1.674982046969      4.689066111152      1.582532063890
C     0.255790780054      4.609711430727     -1.787772150369
H     1.519287476807      3.165470596974     -0.849883427700
C    -0.859473678661      5.434389585158     -1.618699129686
H    -2.407707639514      6.103084377771     -0.293268330272
H    -1.191903621351      6.058910248009     -2.442488118975
C     0.990030977761      4.578571261157     -3.103247690326
H     0.317990010920      4.293671983832     -3.917339759232
H     1.395181476949      5.565309465884     -3.344254280799
H     1.817145404201      3.866758883978     -3.076128723934
*

