%chk=000052670.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052670

0 1
 O   -5.851900      -1.629700      0.2473000    
 O    3.556100      -3.514900     -0.3557000    
 O   -7.375800     -0.3805000     -0.9508000    
 O    1.722200      -2.699800      0.7635000    
 N    1.669600      1.5799999E-02   1.076500    
 N   -6.678400       3.003000     -0.4217000    
 N    5.695300      -1.124900      -1.322700    
 C    3.486600       1.256500      0.1626000    
 C    2.847100     -5.7599999E-02  0.3951000    
 C    4.371700       1.749300       1.103300    
 C    3.182400       1.957600     -0.9894000    
 C    4.974500       2.987900      0.8838000    
 C    3.785300       3.196100      -1.208800    
 C    4.681300       3.711200     -0.2723000    
 C    3.434200      -1.195200     -5.1800001E-02
 C   -5.625000      0.7141000      0.3403000    
 C   -4.216800      0.6085000     -0.1737000    
 C   -3.148300      0.4725000      0.6271000    
 C   0.6136000      0.1482000      0.3426000    
 C   -1.793900      0.3760000      0.1306000    
 C  -0.7359000      0.2407000      0.9395000    
 C   -6.398000     -0.4654000     -0.2182000    
 C    2.783300      -2.528500      0.1814000    
 C   -6.214100       1.992900     -8.8299997E-02
 C    4.684100      -1.155200     -0.7539000    
 C   -6.504000      -2.830600     -0.1781000    
 C    3.054700      -4.847900     -0.2082000    
 H    4.607400       1.195200       2.007900    
 H    2.491000       1.567600      -1.731000    
 H    5.672300       3.389100       1.613000    
 H    3.558200       3.758700      -2.109700    
 H    5.151100       4.675400     -0.4434000    
 H   -5.670900      0.6536000       1.434500    
 H   -4.075600      0.6462000      -1.253200    
 H   -3.288300      0.4335000       1.704500    
 H   0.6589000      0.1881000     -0.7621000    
 H   -1.659000      0.4172000     -0.9475000    
 H  -0.8214000      0.1951000       2.019400    
 H   -7.539700      -2.844300      0.1743000    
 H   -6.464500      -2.917000      -1.268100    
 H   -5.972800      -3.679400      0.2606000    
 H    3.765000      -5.532000     -0.6798000    
 H    2.086900      -4.945700     -0.7091000    
 H    2.969900      -5.105100      0.8519000    


%chk=000052670-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052670

0 1
O -6.628538 -1.442537 1.458845
O 3.469171 -3.417633 -0.678767
O -6.836460 -1.560317 -0.865028
O 1.540413 -2.216835 -1.183331
N 1.681841 0.377662 0.229749
N -7.227477 2.283285 -1.009570
N 6.154546 -1.502004 -0.184882
C 3.839995 1.416223 0.136816
C 3.009282 0.194154 -0.080951
C 3.458314 2.358186 1.132719
C 4.969786 1.693684 -0.680477
C 4.201927 3.540738 1.319738
C 5.706171 2.881341 -0.494276
C 5.329226 3.806740 0.507255
C 3.568664 -1.063970 -0.407187
C -5.759906 0.413217 0.208776
C -4.396365 0.275543 -0.461226
C -3.214265 0.426974 0.208295
C 0.561472 0.245266 -0.426350
C -1.914535 0.272253 -0.424391
C -0.718641 0.417777 0.240355
C -6.480407 -0.960278 0.166888
C 2.738407 -2.232785 -0.785392
C -6.584026 1.439056 -0.466694
C 4.978614 -1.291200 -0.278617
C -7.262510 -2.785374 1.577131
C 2.762928 -4.647997 -1.100298
H 2.590361 2.138322 1.761546
H 5.261641 0.993788 -1.468885
H 3.907568 4.251373 2.099571
H 6.573194 3.084062 -1.131727
H 5.908336 4.725403 0.652207
H -5.638409 0.698549 1.268506
H -4.415568 0.020823 -1.528812
H -3.225949 0.679532 1.278796
H 0.551153 0.019011 -1.503826
H -1.901226 0.019030 -1.495029
H -0.692704 0.657391 1.311228
H -8.274253 -2.761321 1.140615
H -6.650897 -3.536300 1.050630
H -7.296548 -2.981722 2.656898
H 3.511534 -5.445204 -0.995124
H 2.420467 -4.556468 -2.145091
H 1.892073 -4.831138 -0.448432


