#
#Opt
#
! opt freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 12 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%cpcm smd true
smdsolvent "dichloromethane"
end
%geom constraints {A 3 4 1 102.121 C} end end

* xyz 1 1
Au    0.024059000000     -2.084777000000      0.223899000000
C     1.546235000000      0.359844000000      1.004455000000
C     0.369174000000     -0.255330000000      1.122900000000
C     0.671067000000      2.346176000000      1.716889000000
C     1.953721000000      1.670279000000      1.772845000000
H     2.256553000000      1.422889000000      2.789035000000
C    -0.757036000000      0.384533000000      1.871263000000
H    -1.184542000000     -0.285217000000      2.620210000000
H    -1.554107000000      0.620258000000      1.159654000000
C    -0.348880000000      1.737109000000      2.573022000000
P    -0.359322000000     -4.127579000000     -0.778003000000
C     0.527198000000     -4.357701000000     -2.341402000000
C     0.125175000000     -5.549005000000      0.235918000000
H     2.335378000000      0.010761000000      0.346527000000
C    -2.097347000000     -4.432245000000     -1.190260000000
H    -2.450230000000     -3.657140000000     -1.873255000000
H    -2.208325000000     -5.411217000000     -1.662513000000
H    -2.698635000000     -4.397730000000     -0.279717000000
H     0.223918000000     -3.583262000000     -3.048605000000
H     0.304618000000     -5.341414000000     -2.761473000000
H     1.601372000000     -4.271668000000     -2.166531000000
H     1.191593000000     -5.488122000000      0.461459000000
H    -0.081739000000     -6.480978000000     -0.295509000000
H    -0.433097000000     -5.533688000000      1.173958000000
H     2.763733000000      2.148281000000      1.231983000000
H    -1.228455000000      2.355213000000      2.728142000000
H     0.103515000000      1.489045000000      3.533751000000
C     0.361453000000      3.370334000000      0.750085000000
C    -0.981283000000      3.676702000000      0.465090000000
C     1.390457000000      4.051721000000      0.076836000000
C    -1.269808000000      4.623511000000     -0.485833000000
H    -1.805047000000      3.174701000000      0.953921000000
C     1.067829000000      5.007222000000     -0.854711000000
H     2.436428000000      3.870052000000      0.280872000000
C    -0.256930000000      5.301548000000     -1.152636000000
F    -2.537282000000      4.924427000000     -0.792212000000
F    -0.550627000000      6.224393000000     -2.056253000000
F     2.023824000000      5.684767000000     -1.501307000000
*

