%chk=000057227.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057227

1 1
 O   0.5444000      -1.098500      -1.503100    
 N   -3.676100      1.9500000E-02  0.1673000    
 N   9.6000005E-03  0.7543000     -0.2139000    
 N    6.291300      0.2378000      0.8332000    
 C   -2.191600     -7.0500001E-02  0.4903000    
 C   -4.462100     -0.8321000       1.153700    
 C   -4.131300       1.467900      0.2722000    
 C   -3.919300     -0.4875000      -1.246900    
 C   -1.399000      0.7618000     -0.5004000    
 C   -4.005400      -2.270400       1.044800    
 C   -5.607400       1.550800     -4.9800001E-02
 C   0.8789000     -0.1900000     -0.7472000    
 C    2.301200     -7.7299997E-02 -0.3329000    
 C    3.085200      -1.212300     -0.3270000    
 C    2.792500       1.158500      3.3900000E-02
 C    4.420200      -1.107100      6.3299999E-02
 C    4.127600       1.263800      0.4238000    
 C    4.941400      0.1311000      0.4387000    
 H   -2.045700      0.2762000       1.520300    
 H   -1.860300      -1.109800      0.4151000    
 H   -4.302600     -0.4317000       2.160800    
 H   -5.525400     -0.7915000      0.9046000    
 H   -3.915300       1.827600       1.284000    
 H   -3.598800       2.077600     -0.4602000    
 H   -3.250900      -1.329000      -1.455100    
 H   -4.958400     -0.8164000      -1.347400    
 H   -3.719100      0.3163000      -1.962800    
 H   -1.526300      0.4147000      -1.529800    
 H   -1.660300       1.820700     -0.4657000    
 H   -4.670100      -2.888200       1.661600    
 H   -4.059800      -2.688900      3.7300002E-02
 H   -3.004500      -2.435300       1.452200    
 H   -5.890700       2.610100     -9.1200002E-02
 H   -5.883600       1.130300      -1.019400    
 H   -6.241400       1.116100      0.7275000    
 H   0.3364000       1.431300      0.4671000    
 H    2.693300      -2.184400     -0.6111000    
 H    2.202900       2.068700      3.1000001E-03
 H    5.043900      -1.997300      7.1900003E-02
 H    4.524600       2.235400      0.7069000    
 H    6.669500       1.135200       1.106000    
 H    6.881800     -0.5831000      0.8447000    


%chk=000057227-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057227

1 1
O -0.136085 -0.658302 -0.850163
N -3.601273 0.081557 0.149461
N -0.044233 1.402345 0.173044
N 6.239959 -0.495908 0.264648
C -2.299405 0.605444 0.796419
C -4.283714 -0.899214 1.142312
C -4.547929 1.284300 -0.105101
C -3.283077 -0.647376 -1.166263
C -1.473574 1.580077 -0.092751
C -3.447575 -2.127779 1.520071
C -5.893788 0.931991 -0.749590
C 0.590550 0.241067 -0.288098
C 2.050336 0.104074 -0.105004
C 2.676848 -1.059616 -0.638088
C 2.872379 1.059681 0.560804
C 4.054699 -1.265284 -0.520969
C 4.253905 0.866753 0.688198
C 4.876314 -0.302163 0.145821
H -2.588405 1.070728 1.755284
H -1.677622 -0.278762 0.987547
H -4.537360 -0.301811 2.036415
H -5.221700 -1.212244 0.656547
H -4.695338 1.771338 0.875773
H -3.985369 1.976960 -0.753396
H -2.274102 -1.084429 -1.097240
H -4.049847 -1.414433 -1.346623
H -3.294376 0.077042 -1.994000
H -1.661179 1.368569 -1.161853
H -1.741912 2.630910 0.106060
H -4.088054 -2.796365 2.122067
H -3.114533 -2.702718 0.640219
H -2.567955 -1.883334 2.136582
H -6.414893 1.877159 -0.982838
H -5.777232 0.385352 -1.700138
H -6.557559 0.357343 -0.083752
H 0.488765 2.171133 0.576304
H 2.046518 -1.792966 -1.151097
H 2.450918 1.971995 1.001844
H 4.512674 -2.166759 -0.943841
H 4.865495 1.614412 1.205954
H 6.830769 0.186482 0.733407
H 6.687261 -1.322848 -0.123576


