%chk=000064504.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064504

0 1
 O    1.596300       1.764900      -1.848000    
 N    1.044900       1.894400      0.4061000    
 N   0.1411000       2.895700      0.1980000    
 N   -1.582600       1.303600      0.1319000    
 N   -2.086600       3.642500      0.2735000    
 N   -3.409900       3.379000      0.2771000    
 C    2.706200      0.3201000     -0.3056000    
 C    4.468100      -1.269300      -1.166800    
 C    2.976100      -1.958600      0.7464000    
 C    4.740900     -0.1907000       1.097200    
 C    3.455000     -0.1790000      -1.557400    
 C    1.969000     -0.8656000      0.3481000    
 C    3.726200      0.8948000      0.6968000    
 C    3.720200      -2.442600     -0.5103000    
 C    5.475600     -0.6852000     -0.1611000    
 C    3.991900      -1.370400       1.741100    
 C    1.725300       1.392600     -0.6840000    
 C   -1.227500       2.600400      0.2015000    
 C   -2.904600       1.075500      0.1375000    
 C   -3.815400       2.098000      0.2090000    
 C   -3.307900     -0.3055000      6.1600000E-02
 C   -4.516700     -0.6530000     -0.5485000    
 C   -2.493300      -1.307000      0.5983000    
 C   -4.907700      -1.990000     -0.6212000    
 C   -2.884200      -2.644000      0.5253000    
 C   -4.091300      -2.985500     -8.4299996E-02
 C   -4.509200      -4.415100     -0.1623000    
 H    4.997200      -1.620500      -2.059600    
 H    2.447200      -2.798900       1.209700    
 H    5.464200      0.2223000       1.809200    
 H    3.980800      0.6494000      -2.050600    
 H    2.748700     -0.5823000      -2.295300    
 H    1.224200      -1.278300     -0.3454000    
 H    1.412800     -0.5575000       1.242000    
 H    3.243500       1.269600       1.607400    
 H    4.252400       1.751800      0.2556000    
 H    3.008500      -2.878200      -1.222200    
 H    4.429300      -3.235600     -0.2430000    
 H    6.215400      -1.447300      0.1128000    
 H    6.027400      0.1432000     -0.6221000    
 H    3.475700      -1.035300       2.649200    
 H    4.706100      -2.144300       2.048100    
 H    1.151000       1.592900       1.367900    
 H   0.4528000       3.852000      0.3015000    
 H   -4.888900       1.962500      0.2379000    
 H   -5.171500      8.8699996E-02 -0.9987000    
 H   -1.550900      -1.073800       1.088700    
 H   -5.849000      -2.244400      -1.101300    
 H   -2.241300      -3.410300      0.9505000    
 H   -5.099100      -4.682600      0.7199000    
 H   -5.111700      -4.602300      -1.057700    
 H   -3.639400      -5.078700     -0.2173000    


%chk=000064504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064504

0 1
O 1.494709 2.054916 -1.562821
N 1.110921 2.131405 0.722601
N 0.087728 3.071615 0.602147
N -1.550061 1.382949 0.275320
N -2.003420 3.769305 -0.146554
N -3.285154 3.469406 -0.512191
C 2.701007 0.420868 -0.132929
C 4.359865 -1.173173 -1.228105
C 2.862818 -2.008643 0.637481
C 4.751350 -0.393113 1.150506
C 3.403120 0.023118 -1.462421
C 1.899052 -0.814204 0.404056
C 3.792690 0.806859 0.920317
C 3.552889 -2.389518 -0.699846
C 5.440960 -0.776433 -0.186378
C 3.940993 -1.607528 1.681098
C 1.734268 1.589850 -0.415129
C -1.194419 2.696887 0.218512
C -2.835960 1.091941 -0.101623
C -3.691558 2.161295 -0.504174
C -3.259935 -0.328053 -0.060011
C -4.571625 -0.738743 -0.424489
C -2.333189 -1.324777 0.352023
C -4.938841 -2.097584 -0.374425
C -2.706883 -2.679776 0.400433
C -4.017953 -3.094527 0.042489
C -4.428340 -4.552456 0.125942
H 4.846849 -1.438470 -2.186774
H 2.280286 -2.871868 1.016558
H 5.517144 -0.102006 1.896374
H 3.959179 0.893226 -1.859859
H 2.638239 -0.229213 -2.219622
H 1.115742 -1.089279 -0.328937
H 1.383696 -0.562384 1.353698
H 3.328711 1.092841 1.886743
H 4.359694 1.687889 0.560836
H 2.792465 -2.693554 -1.446798
H 4.225592 -3.256598 -0.544598
H 6.140623 -1.619804 -0.020398
H 6.038175 0.076973 -0.565062
H 3.460904 -1.352986 2.648142
H 4.621693 -2.461221 1.869957
H 1.218576 1.696010 1.639894
H 0.351417 4.038113 0.392504
H -4.723330 2.011330 -0.824926
H -5.315119 -0.005412 -0.753542
H -1.323460 -1.005762 0.626238
H -5.954607 -2.391985 -0.663960
H -1.974712 -3.431920 0.718432
H -4.820682 -4.794289 1.133220
H -5.223049 -4.793588 -0.601269
H -3.573757 -5.225830 -0.061579


