%chk=000056088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056088

0 1
 O   -2.407400       1.611700     -0.7047000    
 O   -4.885800      -2.292100     -0.6704000    
 N   -3.324700     -0.5424000     -0.7029000    
 N   0.7622000      -1.777000      0.2920000    
 N    3.361800     -0.5943000      0.2397000    
 C   -4.789100       1.219700      -1.054900    
 C   -5.573000      2.7899999E-02 -0.4950000    
 C   -5.207400       2.598200     -0.5543000    
 C   -5.942300      0.1338000      0.9938000    
 C   -3.350200      0.8380000     -0.7755000    
 C   -4.584600      -1.107200     -0.6613000    
 C   -2.094100      -1.306100     -0.6452000    
 C   -1.664000      -1.616100      0.7874000    
 C  -0.3855000      -2.451800      0.8972000    
 C   -5.768100       2.621800      0.8301000    
 C   -6.094900       1.523800       1.518600    
 C    1.002900     -0.4845000      0.9456000    
 C    1.962600      -2.616300      0.3880000    
 C    2.166400      0.2572000      0.2835000    
 C    3.159000      -1.945600     -0.2917000    
 C    4.607200      2.7600000E-02  9.7700000E-02
 C    5.067400      0.9563000       1.052600    
 C    5.438400     -0.2546000      -1.004800    
 C    6.308300       1.577300      0.9107000    
 C    6.679400      0.3663000      -1.146500    
 C    7.114400       1.282300     -0.1888000    
 C    8.441300       1.945900     -0.3407000    
 H   -4.867900       1.218200      -2.152500    
 H   -6.464100     -0.1589000      -1.104600    
 H   -5.980900       2.996700      -1.223000    
 H   -4.363800       3.296100     -0.6046000    
 H   -5.203600     -0.3797000       1.623200    
 H   -6.886600     -0.4030000       1.150700    
 H   -1.315100     -0.7365000      -1.163100    
 H   -2.249100      -2.244500      -1.190100    
 H   -2.468500      -2.196800       1.260700    
 H   -1.614200     -0.6995000       1.385300    
 H  -0.5569000      -3.409400      0.3894000    
 H  -0.1985000      -2.678900       1.954900    
 H   -5.924200       3.594700       1.287700    
 H   -6.492600       1.634300       2.523800    
 H    1.212200     -0.6202000       2.015200    
 H   0.1442000      0.1870000      0.8584000    
 H    1.787100      -3.581300     -0.1028000    
 H    2.207500      -2.824000       1.438600    
 H    1.895300      0.5505000     -0.7392000    
 H    2.348300       1.179900      0.8469000    
 H    4.044600      -2.568400     -0.1145000    
 H    2.988700      -1.898300      -1.374900    
 H    4.461400       1.192900       1.924500    
 H    5.127200     -0.9528000      -1.777800    
 H    6.636600       2.288500       1.663900    
 H    7.296500      0.1318000      -2.009800    
 H    8.877900       2.185000      0.6350000    
 H    9.152500       1.293000     -0.8581000    
 H    8.334600       2.872300     -0.9136000    


%chk=000056088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056088

0 1
O -2.098349 1.412559 -0.016697
O -4.874623 -2.164243 -1.223940
N -3.223866 -0.571252 -0.640581
N 0.721182 -1.829622 0.450193
N 3.334054 -0.578124 0.250763
C -4.486437 1.437865 -0.812838
C -5.464190 0.227961 -0.729971
C -4.860638 2.733883 -0.050225
C -6.161675 0.084481 0.659381
C -3.132470 0.821259 -0.417678
C -4.549306 -0.988190 -0.933165
C -2.073822 -1.486212 -0.530409
C -1.758933 -1.845740 0.939561
C -0.403888 -2.572448 1.072637
C -6.034442 2.594329 0.896348
C -6.630369 1.416268 1.208761
C 0.977967 -0.505792 1.074285
C 1.965376 -2.635019 0.451598
C 2.093094 0.229959 0.315513
C 3.100028 -1.922894 -0.305870
C 4.577958 0.064801 0.011496
C 4.888812 1.312647 0.634555
C 5.584449 -0.517004 -0.814451
C 6.136558 1.931439 0.440081
C 6.836922 0.112933 -0.988644
C 7.145469 1.348319 -0.372701
C 8.491145 2.026803 -0.566135
H -4.368957 1.692498 -1.886585
H -6.236323 0.266024 -1.515274
H -5.083727 3.543141 -0.772369
H -3.964556 3.080749 0.505175
H -5.458006 -0.378854 1.383868
H -7.003321 -0.624338 0.561790
H -1.190096 -1.003270 -0.980798
H -2.321288 -2.391649 -1.112104
H -2.552488 -2.499269 1.348600
H -1.756099 -0.920983 1.544705
H -0.464820 -3.557796 0.569227
H -0.213787 -2.774001 2.158871
H -6.405081 3.525508 1.345750
H -7.471970 1.399732 1.913431
H 1.270825 -0.617759 2.149473
H 0.064444 0.111667 1.020252
H 1.761716 -3.605587 -0.039115
H 2.311198 -2.843484 1.496855
H 1.729170 0.458377 -0.712862
H 2.292414 1.188095 0.818857
H 4.017459 -2.526578 -0.193152
H 2.844910 -1.876991 -1.391223
H 4.162548 1.790752 1.299834
H 5.393926 -1.453665 -1.346501
H 6.337291 2.886501 0.942959
H 7.584460 -0.367152 -1.632998
H 9.024654 2.154565 0.395526
H 9.145022 1.438818 -1.233889
H 8.379276 3.034481 -1.010368


