#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm23Frz.gbw" end

* xyz 1 1
  C           0.06650083214101     -2.79960139192644     -0.09663819076990
  C           1.43312857989514     -2.54234649377404     -0.32457539041567
  C           1.99307318254470     -1.29905165720956     -0.09714921698858
  C           1.22732440111655     -0.24963747701473      0.39948624917842
  C          -0.13999946212080     -0.45749265042651      0.59339146594010
  C          -0.68868361194628     -1.69166598063017      0.35166162574524
  H           2.07302814123548     -3.34693472197275     -0.65868257625878
  H           3.05542020554391     -1.16187231470589     -0.26968547227115
  H          -0.80204441815259      0.33511399018274      0.92601008395425
  C           1.84694867015348      1.11148178586095      0.66430756957022
  H           1.60068489398193      1.47096486154679      1.66308337991753
  H           2.93474029076897      1.01057247518991      0.60560244350814
  H           1.83256896564744      1.84391431627446     -1.37616422640631
  C           0.46917535681247      3.05218603267824     -0.30138332642610
  C           0.14883125659514      3.77432470814671     -1.48393555960365
  C          -0.17252027639525      3.39742330543958      0.92013804854464
  C          -0.76850427055532      4.79765325933883     -1.44614389994743
  H           0.63872565902990      3.50510231539309     -2.41347726441705
  C          -1.09004090112006      4.41808255964053      0.94543323140266
  H           0.06038566799850      2.85576225714907      1.82781402566863
  C          -1.38382259997182      5.11371952239182     -0.23358918446213
  H          -1.01536712859017      5.35179922384904     -2.34297651470793
  H          -1.58547377630681      4.68868424637682      1.86951813266986
  H          -2.10953088790493      5.91971236749619     -0.20289584141767
  C           1.41222046159370      2.03352336223359     -0.38949255237453
  N          -0.49585579095024     -4.02105742179517     -0.32863809022463
  C          -1.62705721608368     -4.50687538333572      0.46490056335862
  C           0.27282036842501     -5.03783624656382     -1.02673434795152
  H          -1.48667489837578     -5.57360070244192      0.64369086659608
  H          -1.66554117873411     -4.01068487147558      1.43335578040457
  H          -2.57957875225679     -4.35776745377271     -0.04773751734570
  H          -0.41202195911112     -5.81153670349956     -1.37221758589392
  H           0.76116717257582     -4.61139627120355     -1.90414661518146
  H           1.03154619072777     -5.50578712410631     -0.38606244790511
  F          -2.02405564821114     -1.81901128333396      0.50363971451028
*

