#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -3.18491452104245     -0.78787488957117     -1.66417732701387
  H          -2.77239441530138     -1.69967026181091     -1.23057900581437
  H          -4.10415456383314     -1.06329084561229     -2.18815289785775
  C          -2.24327146450435     -0.29816704955080     -2.67614436172333
  C          -1.55551873859715      0.11764988087059     -3.59308271833861
  H          -1.13922395340028      0.46925083752977     -4.51682856680946
  C          -1.71363371240335      1.91299557765483     -0.29616487193367
  H          -0.81030543904806      2.32182802929226      0.14084120808224
  H          -2.14602451154270      2.46391384445598     -1.12452579390403
  C          -2.29489209788850      0.79322260552098      0.14480460657693
  C          -3.50968269502271      0.26356405734481     -0.58166452050923
  H          -4.21396083174479     -0.19284534413967      0.11636754852691
  H          -4.01891956431969      1.09952073566539     -1.06278772801711
  Au         -0.07022097609068     -0.03812664018155     -1.91001991447441
  P           1.89154520963338     -0.14912491494439     -0.74194464049094
  C           3.32618647771810     -0.40591829619271     -1.81048256264993
  C           2.26679586472458      1.33610345129378      0.21411289555111
  C           1.90260627221519     -1.52216866552835      0.43098803563243
  H           1.80746925589359     -2.46075060873880     -0.11811648319159
  H           2.83828655437880     -1.52160397157667      0.99460368702460
  H           1.05963654616223     -1.42560003928010      1.11525473433244
  H           3.19832791680692     -1.33038184352064     -2.37588332679712
  H           4.23103667119261     -0.47045294328020     -1.20155660469075
  H           3.41454863821527      0.42865880981036     -2.50822896606505
  H           2.31941980545614      2.19462190722680     -0.45779525249455
  H           3.22528066944267      1.21125875389560      0.72310300194581
  H           1.48312679249209      1.50837855139844      0.95112156831470
  C          -1.73836764981361      0.01775288969176      1.29037959791515
  C          -2.09854413264719     -1.31188104182307      1.51626936947124
  C          -0.82955901869145      0.60724933096830      2.17462763984548
  C          -1.54837108571933     -2.04042987053916      2.56575407821344
  H          -2.82040690686928     -1.80102341462276      0.87584001061314
  C          -0.28043384045166     -0.12323124766973      3.21434352748134
  H          -0.56019450146581      1.64849000762440      2.06262649462052
  C          -0.62712747454831     -1.45557161826236      3.41851962087955
  H          -1.84333605355231     -3.07281830507157      2.71493820772815
  H          -0.19016651570478     -2.02049945657419      4.23351646403903
  C           0.76481498306436      0.50476772039310      4.09461667150961
  F           0.70728763233292      1.85051638465870      4.09761211259672
  F           2.01678670097886      0.17581880717812      3.68694389140533
  F           0.66738412349525      0.10332786601709      5.37784768046984
*

