#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm11Frz.gbw" end

* xyz 1 1
  C          -1.26070877177077     -3.57667290140950     -0.39806909043065
  C           0.10356228912909     -3.70312566177478     -0.14123408916232
  C           0.82295130470279     -2.61331724261751      0.34140908198204
  C           0.17128691595879     -1.41156627747090      0.57716382077873
  C          -1.18704184130066     -1.27039462158115      0.30555063249822
  C          -1.89605125083338     -2.36491184567043     -0.17350026731389
  H           1.87998833152987     -2.73721184570131      0.54794435157646
  H          -1.69334504660101     -0.32756501246473      0.48342146995240
  H          -2.95688561207546     -2.27454569731446     -0.37596310987800
  C           0.95876818864765     -0.22093366017439      1.11346279051332
  H           0.48950778064704      0.18859840423408      2.00643539120631
  H           1.96432321766326     -0.56147392470227      1.38319598650489
  H           1.67256449269884      0.42664407069376     -0.82508780403454
  C           0.55885907041778      2.04158675155501     -0.04270200064863
  C           0.81167563223729      2.80311872336493     -1.21932816043704
  C          -0.22635811643589      2.60989908863020      1.00072936395276
  C           0.30729563403116      4.07510090964270     -1.34442942496918
  H           1.40776920796017      2.36363112939792     -2.01187928760574
  C          -0.72699524236696      3.87947263781158      0.86323599887403
  H          -0.42952068320317      2.04115789911200      1.89880972938404
  C          -0.45844331339044      4.60602358119357     -0.30423614864683
  H           0.49675987541190      4.66061096301167     -2.23523065218282
  H          -1.32559411566390      4.32298525169616      1.64906463199010
  H          -0.85825889053242      5.61006781667815     -0.40218411207408
  C           1.09994205742605      0.76718443428068      0.03696119692306
  H          -1.82349923914817     -4.42633176049476     -0.77150310075619
  O           0.78889440958720     -4.85426879542073     -0.33586243603565
  H           0.19664489527337     -5.54808413450551     -0.64613461196080
*

