%chk=000110771.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110771

0 1
 O  -0.5779000      -1.274700       1.459300    
 N   -2.765500      2.8100001E-02 -0.1738000    
 N   0.2932000      0.6422000      0.3359000    
 C   -1.994900      0.5975000      0.9216000    
 C   -1.560600       2.029700      0.6492000    
 C   -4.068300      0.6730000     -0.3344000    
 C   -3.065800      -1.388500      3.1900000E-02
 C   -4.821800     -0.3001000      -1.228900    
 C   -4.165300      -1.655600     -0.9856000    
 C  -0.2856000       1.878300     -0.1561000    
 C  -0.6784000     -0.1544000      0.9783000    
 C    1.654700      0.2919000      9.3699999E-02
 C    2.145600     -0.9501000      0.5071000    
 C    2.506700       1.188000     -0.5586000    
 C    3.476800      -1.292800      0.2705000    
 C    3.837900      0.8451000     -0.7952000    
 C    4.322900     -0.3954000     -0.3807000    
 C    5.746100     -0.7621000     -0.6342000    
 H   -2.509800      0.5232000       1.886800    
 H   -1.323300       2.511400       1.607700    
 H   -2.296000       2.668100      0.1538000    
 H   -4.005500       1.656400     -0.8094000    
 H   -4.592400      0.7777000      0.6243000    
 H   -3.441500      -1.588000       1.043700    
 H   -2.217500      -2.048300     -0.1727000    
 H   -4.716100     -2.1900000E-02  -2.284100    
 H   -5.890300     -0.3188000     -0.9918000    
 H   -4.884400      -2.393000     -0.6147000    
 H   -3.745900      -2.037300      -1.924000    
 H  -0.4912000       1.770100      -1.226600    
 H   0.3638000       2.739600      2.3300000E-02
 H    1.547300      -1.693400       1.015900    
 H    2.175100       2.159400     -0.9103000    
 H    3.844500      -2.261400      0.5992000    
 H    4.487800       1.552100      -1.304200    
 H    6.120500     -0.2856000      -1.546700    
 H    6.370800     -0.4473000      0.2076000    
 H    5.857700      -1.843400     -0.7690000    


%chk=000110771-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110771

0 1
O -0.487919 -1.260870 1.647570
N -2.813773 0.057165 -0.146798
N 0.298893 0.630418 0.426838
C -2.023872 0.601812 0.987398
C -1.579365 2.058714 0.729141
C -4.163577 0.677903 -0.292797
C -3.094276 -1.409681 -0.069673
C -4.908927 -0.262744 -1.277991
C -4.144949 -1.626416 -1.183048
C -0.272446 1.906270 -0.081326
C -0.668392 -0.143370 1.084876
C 1.651303 0.261879 0.155977
C 2.256119 -0.872902 0.768818
C 2.425928 1.041733 -0.744663
C 3.595810 -1.195192 0.481651
C 3.767828 0.699869 -1.016186
C 4.384035 -0.421179 -0.410007
C 5.829854 -0.786063 -0.698296
H -2.567080 0.484296 1.956598
H -1.367546 2.556144 1.692861
H -2.330860 2.654527 0.188943
H -4.092805 1.712678 -0.669906
H -4.697661 0.708648 0.692079
H -3.513068 -1.685447 0.929991
H -2.173524 -1.995364 -0.214040
H -4.865887 0.134144 -2.306529
H -5.973380 -0.357841 -1.000927
H -4.813615 -2.472136 -0.946473
H -3.643167 -1.850355 -2.139872
H -0.472596 1.829673 -1.166940
H 0.431384 2.737645 0.097482
H 1.667162 -1.487933 1.451320
H 1.989544 1.907141 -1.252291
H 4.040046 -2.073401 0.966967
H 4.342315 1.317954 -1.716827
H 6.278546 -0.103821 -1.440976
H 6.448179 -0.737926 0.218280
H 5.915142 -1.816272 -1.092423


