%chk=000054603.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054603

0 1
 O   -1.026800       1.363400       1.988100    
 N   4.1999999E-03  0.1490000      0.3037000    
 N    2.820600      -3.615000     -0.5040000    
 N   -6.156400     -0.7981000      -1.058200    
 C    1.365800      0.4121000      0.7182000    
 C    2.247800     -0.8142000      0.4162000    
 C    1.768800      -2.084000       1.133500    
 C    2.694600      -3.281800      0.9096000    
 C    1.869500       1.695600      9.2000000E-02
 C    1.440100       2.040900      -1.177000    
 C    2.747400       2.494200      0.8034000    
 C   -1.088700      0.6559000      0.9862000    
 C    1.517400      -3.971100      -1.068100    
 C    3.771900      -4.711800     -0.6925000    
 C    1.903800       3.223500      -1.753600    
 C    3.211100       3.676700      0.2269000    
 C   -2.419900      0.2726000      0.4493000    
 C    2.789300       4.041300      -1.051600    
 C   -3.498000      0.2309000       1.309000    
 C   -2.535900     -2.8400000E-02 -0.8920000    
 C   -4.748100     -0.1278000      0.8048000    
 C   -3.786200     -0.3870000      -1.396200    
 C   -4.892200     -0.4368000     -0.5477000    
 H    1.344600      0.5547000       1.807200    
 H    2.270900     -0.9828000     -0.6680000    
 H    3.280900     -0.5991000      0.7187000    
 H   0.7359000      -2.328100      0.8642000    
 H    1.746500      -1.880900       2.212500    
 H    2.321400      -4.136700       1.488900    
 H    3.681900      -3.029700       1.317400    
 H  -0.1197000     -0.4545000     -0.5020000    
 H   0.7667000       1.415900      -1.755400    
 H    3.083100       2.217300       1.798400    
 H    1.633800      -4.324300      -2.099900    
 H    1.018900      -4.764100     -0.4987000    
 H   0.8493000      -3.107200      -1.136500    
 H    3.906300      -4.926400      -1.758600    
 H    4.758500      -4.436900     -0.3030000    
 H    3.446900      -5.631700     -0.1929000    
 H    1.579000       3.505600      -2.750900    
 H    3.901200       4.313000      0.7731000    
 H    3.151200       4.961300      -1.501100    
 H   -3.401700      0.4637000       2.365300    
 H   -1.711800      3.4600001E-02  -1.594400    
 H   -5.602300     -0.1639000       1.476200    
 H   -3.887800     -0.6172000      -2.453700    
 H   -6.260700      -1.024500      -2.038300    
 H   -6.958400     -0.8367000     -0.4433000    


%chk=000054603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054603

0 1
O -0.754174 1.281771 1.570316
N 0.600898 -0.164676 0.340571
N 1.037644 -2.939048 -0.173359
N -5.365496 -1.821876 -1.765435
C 1.822309 0.415928 0.927251
C 3.026014 -0.542973 0.704638
C 2.882400 -1.968407 1.309170
C 2.450811 -3.059670 0.300787
C 2.151820 1.798577 0.347940
C 2.092351 2.033571 -1.047980
C 2.582624 2.844475 1.198218
C -0.635799 0.348048 0.704777
C 0.069630 -3.419150 0.850231
C 0.833626 -3.644919 -1.464141
C 2.464573 3.285957 -1.583799
C 2.959704 4.098501 0.667205
C -1.836379 -0.251428 0.031190
C 2.905249 4.322775 -0.727811
C -3.104793 -0.093044 0.649445
C -1.779791 -0.927504 -1.215928
C -4.270961 -0.614230 0.067551
C -2.941327 -1.447488 -1.817409
C -4.209417 -1.306081 -1.179764
H 1.664924 0.543589 2.019059
H 3.227576 -0.616750 -0.383602
H 3.909490 -0.043530 1.143842
H 2.192355 -1.946488 2.175618
H 3.863701 -2.286935 1.712960
H 2.616963 -4.069687 0.749374
H 3.108105 -2.990933 -0.587533
H 0.684563 -1.130867 -0.071784
H 1.728257 1.237835 -1.709020
H 2.599945 2.682048 2.283127
H -0.959651 -3.244537 0.494169
H 0.199024 -4.504746 1.069899
H 0.200140 -2.853718 1.787553
H -0.215331 -3.524754 -1.786428
H 1.490747 -3.208813 -2.237048
H 1.051404 -4.737289 -1.394745
H 2.407065 3.457817 -2.665172
H 3.281579 4.902545 1.339164
H 3.190793 5.296670 -1.141896
H -3.145738 0.461341 1.593197
H -0.821921 -1.016912 -1.740801
H -5.239594 -0.484286 0.566323
H -2.878767 -1.946616 -2.792843
H -5.330258 -2.291781 -2.665146
H -6.272186 -1.690812 -1.326730


