#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_prod12Frz.gbw" end

* xyz 1 1
  C          -0.03835275910475     -3.07271736409451     -0.26605772939614
  C           0.29256758246242     -2.61238080856454      1.03022129180162
  C           0.71466638934944     -1.33043927991987      1.21643017442775
  C           0.83683579245114     -0.42376814870679      0.11501971745278
  C           0.49775027060825     -0.90173802308340     -1.19018974715865
  C           0.07437438621187     -2.18410241284475     -1.36526913088219
  H           0.20955217386328     -3.27922040458856      1.87887760539115
  H           0.96635219700507     -0.97641419057841      2.21054486584678
  H           0.57638407315843     -0.24101372109588     -2.04402594304754
  H          -0.18196780750789     -2.54399340015819     -2.35451688843940
  C           1.27172264564193      0.85630792770942      0.35882819821636
  H           1.48783051940243      1.11027540223929      1.39559634741273
  H           2.42871508212248      2.39211562923674     -0.46270035286302
  H           1.33813666842962      1.64688025956384     -1.63451802368645
  C           0.39523564845405      3.03998350658827     -0.26806258824934
  C          -0.94990614598779      2.82165954596382     -0.55146331930422
  C           0.79074533693858      4.23021176515665      0.33437278409842
  C          -1.88949989088208      3.80025859882378     -0.25669887280076
  H          -1.26633004361854      1.89213506533175     -1.01574587657191
  C          -0.14977778844498      5.20704629951946      0.63029550232530
  H           1.83874752436591      4.40412021579801      0.55615860862902
  C          -1.48975136114195      4.99321233148163      0.33425159998347
  H          -2.93461085528576      3.63266097961727     -0.48983550881936
  H           0.16567455139477      6.13820119060027      1.08637478173099
  H          -2.22412306683733      5.75704185851749      0.56199797271368
  C           1.42837799938090      1.96943859826578     -0.59818500590798
  C          -0.49240964062260     -4.43355286720101     -0.50880360531213
  C           0.05952175923062     -5.58156096160250      0.33608480934963
  C          -1.33779738921440     -5.15363732471476      0.54125126457070
  H          -0.71509191022608     -4.66501670789589     -1.54219453726363
  H           0.80198947577981     -5.32668762171997      1.08155961382937
  H           0.24998111350769     -6.50033358279054     -0.20297145803407
  H          -2.13502768468170     -5.77005411099902      0.14692034291778
  H          -1.59121156620279     -4.59491592385483      1.43324056703929
*

