%chk=000117931.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117931

0 1
 O    4.229400      -2.268200      0.2131000    
 N    1.756400     -0.9736000     -0.1076000    
 N   -1.059700     -0.8897000     -0.3898000    
 C   0.8762000      -1.611800      0.8721000    
 C    2.317400      -1.804800      -1.161200    
 C  -0.5097000      -1.059000      0.8344000    
 C    2.032600      0.3884000     -3.4800000E-02
 C    3.832300      -1.792900      -1.066900    
 C   -1.148700     -0.7534000       2.018900    
 C   -2.308700     -0.3923000     -0.4634000    
 C   -3.042800     -4.9800001E-02  0.6914000    
 C   -2.435700     -0.2409000       1.939900    
 C    2.042500       1.051700       1.203100    
 C    2.307900       1.126800      -1.197000    
 C   -2.912400     -0.2022000      -1.703400    
 C   -4.344400      0.4674000      0.5775000    
 C    2.320100       2.416700       1.276500    
 C    2.585600       2.491800      -1.123700    
 C    2.591700       3.136700      0.1132000    
 C   -4.206500      0.3118000      -1.816900    
 C   -4.923600      0.6473000     -0.6753000    
 H    1.318300      -1.546300       1.873500    
 H   0.7928000      -2.689200      0.6795000    
 H    1.981100      -1.478300      -2.151200    
 H    1.971400      -2.840500      -1.058200    
 H    4.268900     -0.8014000      -1.210000    
 H    4.265100      -2.453100      -1.825700    
 H  -0.6774000     -0.9023000       2.984000    
 H   -2.962800      8.8000000E-03   2.857900    
 H    1.857300      0.5291000       2.136700    
 H    2.297000      0.6696000      -2.182100    
 H   -2.371300     -0.4568000      -2.612900    
 H   -4.914500      0.7332000       1.465000    
 H    2.329200       2.918500       2.239600    
 H    2.793400       3.053700      -2.029600    
 H    2.807900       4.199500      0.1703000    
 H   -5.929400       1.047100     -0.7594000    
 H   -4.650600      0.4489000      -2.798500    
 H    3.865100      -3.163300      0.3209000    


%chk=000117931-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117931

0 1
O 1.156367 -2.452076 -1.187320
N 1.604242 0.412290 0.039278
N -1.117931 -1.385030 -0.014768
C 0.839666 -0.369928 1.046853
C 1.365429 0.054849 -1.374608
C -0.655815 -0.374667 0.759146
C 2.780619 1.105974 0.417071
C 1.858783 -1.343708 -1.828430
C -1.521595 0.646716 1.271090
C -2.473033 -1.454096 -0.312797
C -3.410220 -0.469787 0.187552
C -2.887698 0.594580 0.992761
C 2.943839 1.647416 1.731695
C 3.842503 1.331315 -0.515578
C -2.945668 -2.526559 -1.132117
C -4.797466 -0.597081 -0.143563
C 4.095882 2.378109 2.082728
C 4.985813 2.073368 -0.153954
C 5.130939 2.606021 1.146320
C -4.305675 -2.622986 -1.440135
C -5.237008 -1.654946 -0.943359
H 1.003122 0.067113 2.042368
H 1.198866 -1.417993 1.069007
H 1.822133 0.831965 -2.011956
H 0.276745 0.109249 -1.565343
H 2.933996 -1.468118 -1.599593
H 1.734454 -1.398945 -2.934832
H -1.095244 1.453654 1.874539
H -3.569155 1.359458 1.382842
H 2.160208 1.527341 2.486514
H 3.796902 0.904796 -1.521177
H -2.218957 -3.258931 -1.497733
H -5.507796 0.146715 0.236720
H 4.177926 2.781833 3.098890
H 5.778523 2.219491 -0.897333
H 6.023497 3.175752 1.424031
H -6.298562 -1.749613 -1.195759
H -4.666827 -3.446118 -2.065944
H 0.239596 -2.160221 -0.853206


