#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "oldSP_ts2.gbw" end

* xyz 1 1
  C          -0.04276949800922     -3.76311370030916      0.02343968595494
  C           1.18503424596419     -3.24686029717659     -0.37624211658616
  C           1.35167090607348     -1.87607607505529     -0.42735023783260
  C           0.29815260410282     -1.01878368894410     -0.09041309081434
  C          -0.92639948947735     -1.55796100726698      0.32309996959299
  C          -1.09879711544642     -2.92584704545297      0.37937520852757
  H           1.99340659254682     -3.91737016858331     -0.63745946616429
  H           2.30774744502956     -1.46587357829109     -0.73563698126756
  H          -1.74382395165373     -0.91610758723979      0.63089587099657
  H          -2.03654075328603     -3.35527764611895      0.70753443447986
  C           0.53341112797951      0.41832999897300     -0.16815327654705
  H           1.57037913231450      0.74665560452403     -0.18403172911565
  H           0.06183690941306      0.93185114805577     -1.27780493480361
  H          -1.48200455896209      1.09996606836284     -0.21156881800427
  C          -0.21055213388475      2.86012260477105     -0.04196226113214
  C          -1.25909838064871      3.72252807239440     -0.38077827739819
  C           1.00709029131131      3.38296699668410      0.41077842767505
  C          -1.08581584485634      5.09309709734484     -0.29036957064907
  H          -2.20681264290778      3.31557759543796     -0.71834888665721
  C           1.17290068428270      4.75225096307930      0.50201812589538
  H           1.81390338315406      2.72817807405541      0.71978779235119
  C           0.13003073342465      5.60524408821001      0.14705161419173
  H          -1.89623665503000      5.76107889845930     -0.55531369140449
  H           2.10970194293644      5.16054213047325      0.86133124416035
  H           0.26522012325047      6.67800264432191      0.22431478407243
  C          -0.44538355341855      1.42595212401843     -0.15929904006775
  Cl         -0.25983363420265     -5.46649782472743      0.09696426054631
*

