#
#Single Point
#
! wb97x-d3bj def2-tzvppd def2/J tightscf defgrid3
%pal nprocs 4 end
%maxcore 8000
%scf guess moread
moinp "SP_sm19Frz.gbw" end

* xyz 1 1
  C          -0.24016559911498     -2.52017950964075      0.03251942432035
  C           1.14606392169259     -2.42864429702296      0.04903938885233
  C           1.73923036353731     -1.20275665747695      0.34537046438163
  C           0.95873957096358     -0.09555671059968      0.65009256465129
  C          -0.42498183651593     -0.20411343486905      0.63458689037144
  C          -1.03573425549425     -1.41570176226841      0.31686383862615
  H           2.82115202594859     -1.13918832443730      0.34707327736927
  H          -1.05647277818855      0.64400775872081      0.87459106424287
  C           1.61740293752296      1.23650053215903      0.98937936882385
  H           1.24525089265889      1.62001127953040      1.93776683447097
  H           2.69726789607265      1.08415171086898      1.08572856520037
  H           1.85122484862058      1.86935518384604     -1.07916060476315
  C           0.65403275047189      3.33230419121735     -0.15214457327483
  C           0.55166626504863      4.04376022537038     -1.38864536247655
  C          -0.01397685962103      3.84358107345756      1.00419351141088
  C          -0.18042502703525      5.20143723775658     -1.46380780339420
  H           1.05991020450081      3.65209826693099     -2.26337373761583
  C          -0.74232926298653      4.99892547688292      0.91446220523740
  H           0.05495872951196      3.32020455999242      1.94924636091150
  C          -0.82331205859792      5.67185427640665     -0.31493777561235
  H          -0.26392337327422      5.74537024280758     -2.39621080074853
  H          -1.25447894992594      5.39718091238862      1.78140732194048
  H          -1.40434733283227      6.58674215467055     -0.37397087821881
  C           1.39509940350536      2.17052969000248     -0.13666395773873
  N          -0.88209330385283     -3.80954025981202     -0.29804098846093
  O          -0.50211360715372     -4.77019656636071      0.32838202429384
  O          -1.72527642891324     -3.77507799003127     -1.16451595345153
  C          -2.47478294579726     -1.47350269613746      0.32295852824470
  N          -3.62111321460661     -1.43155390869278      0.37026866271008
  C           1.99780889467542     -3.54592220217051     -0.26690926589573
  N           2.73900822917929     -4.37971901348949     -0.53756300440824
*

