#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts8.gbw" end

* xyz 1 1
  C          -0.04288248966989     -3.93382386913247      0.03152121458199
  C           1.18369975725289     -3.39662873515870     -0.37081145554487
  C           1.35197063220460     -2.02679600856831     -0.42306285870761
  C           0.29810284368002     -1.17133751622476     -0.08345692628125
  C          -0.92549956595728     -1.71034328601798      0.33266613905830
  C          -1.09387885602390     -3.07796065449657      0.38818713692573
  H           1.99585025249942     -4.06173664379549     -0.63548093824534
  H           2.30633527611278     -1.61397140511888     -0.73330986879949
  H          -1.74173051166170     -1.06770628609852      0.64217346199313
  H          -2.03345947157667     -3.50233739741765      0.71879984013927
  C           0.53202871395394      0.26657599611560     -0.16356412589400
  H           1.56871578478634      0.59556050874724     -0.18281323365957
  H           0.05781590264258      0.77363075614304     -1.27085537780838
  H          -1.48429675312319      0.94469783159477     -0.19791825359259
  C          -0.21570037237981      2.70739023337188     -0.03711855623433
  C          -1.26899671754418      3.56684352355134     -0.36881348279485
  C           1.00427180616305      3.23409315782361      0.40491707886650
  C          -1.09844197666561      4.93797950009816     -0.28193313621108
  H          -2.21833930121409      3.15689533224096     -0.69804959835751
  C           1.16746086129875      4.60390870316506      0.49258583289089
  H           1.81520218638698      2.58166504383185      0.70797537000866
  C           0.11963032580603      5.45379548211207      0.14481796462218
  H          -1.91262951300556      5.60355057786388     -0.54135408951058
  H           2.10619848219452      5.01508384811749      0.84347233894995
  H           0.25281451637416      6.52701153370261      0.21924831627740
  C          -0.44819727651379      1.27281498047379     -0.14976883726738
  C          -0.22254593356125     -5.35385137942368      0.09328879000924
  C          -0.37345258296039     -6.54129872963892      0.14475037132788
  H          -0.50745024949872     -7.59928536786145      0.18967458325772
*

