%chk=000052601.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052601

0 1
 O   -3.801000      -2.048500     -8.0300003E-02
 N    2.251500      9.6000001E-02 -0.3012000    
 N    8.290900       1.462800     -0.1766000    
 N    6.620200       2.878200     -0.9933000    
 N   -5.882800       3.643800      0.6838000    
 N   -4.068500       2.637300       1.759100    
 C    3.617300      7.6300003E-02 -0.1295000    
 C    3.941300      -1.153000      0.4482000    
 C    1.702400      -1.075300      0.1468000    
 C    2.723200      -1.869200      0.6167000    
 C   0.2826000      -1.326300      8.8399999E-02
 C    4.580900       1.043200     -0.4383000    
 C    5.292500      -1.433700      0.7326000    
 C    5.914600      0.7425000     -0.1473000    
 C    6.267200     -0.4762000      0.4292000    
 C  -0.3198000      -2.147500       1.041100    
 C  -0.4864000     -0.7476000     -0.9210000    
 C   -2.461700      -1.811600     -2.5000000E-02
 C   -1.692200      -2.390200      0.9843000    
 C   -1.858900     -0.9903000     -0.9776000    
 C    6.949200       1.719700     -0.4507000    
 C   -4.637000     -0.9678000     -0.3058000    
 C   -4.423500      0.2067000      0.3927000    
 C   -5.265800       1.295000      0.1655000    
 C   -5.664100      -1.091100      -1.223800    
 C   -6.307300       1.190200     -0.7565000    
 C   -6.506500     -2.7000001E-03  -1.451200    
 C   -5.058300       2.539300      0.8894000    
 H    1.740400      0.8768000     -0.6898000    
 H    2.620700      -2.862100       1.034800    
 H    4.276200       1.983100     -0.8866000    
 H    5.580200      -2.380000       1.181900    
 H    7.291900     -0.7408000      0.6678000    
 H   0.2541000      -2.605000       1.843100    
 H  -4.5200001E-02 -0.1180000      -1.689600    
 H   -2.157000      -3.029200       1.730300    
 H   -2.429000     -0.5475000      -1.790100    
 H   -3.626700      0.2710000       1.128300    
 H   -5.820000      -2.019100      -1.765500    
 H   -6.990600       2.004400     -0.9714000    
 H    8.997300       2.158200     -0.3945000    
 H    8.630900      0.6041000      0.2373000    
 H   -7.317100     -8.5199997E-02  -2.169500    
 H    7.477500       3.425600      -1.128800    
 H   -5.721000       4.504000       1.197400    
 H   -6.661900       3.654600      3.7500001E-02
 H   -4.085000       3.581400       2.160700    


%chk=000052601-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052601

0 1
O -3.756596 -1.850529 -0.056214
N 2.519412 0.202377 -0.189753
N 8.626274 1.127902 -0.470056
N 7.020430 2.932102 -0.331474
N -6.665281 3.505449 0.737223
N -4.257901 3.252952 0.609139
C 3.905373 0.093730 -0.034246
C 4.174639 -1.245745 0.432567
C 1.900072 -1.010810 0.171571
C 2.904529 -1.915501 0.555146
C 0.444343 -1.187905 0.101970
C 4.919457 1.038714 -0.261897
C 5.524585 -1.618570 0.670216
C 6.257352 0.645200 -0.028887
C 6.544730 -0.678724 0.441076
C -0.193374 -2.223891 0.842465
C -0.374500 -0.345234 -0.701919
C -2.375573 -1.541797 -0.003226
C -1.585896 -2.404600 0.790751
C -1.771853 -0.511936 -0.760740
C 7.338939 1.650237 -0.287721
C -4.740135 -0.853581 -0.268681
C -4.607235 0.475651 0.179385
C -5.674957 1.386397 -0.010387
C -5.930427 -1.301777 -0.887210
C -6.867512 0.951762 -0.645673
C -6.989015 -0.390227 -1.073650
C -5.488139 2.796194 0.474673
H 2.025047 1.060544 -0.423994
H 2.743538 -2.951260 0.849043
H 4.732775 2.062227 -0.601344
H 5.768418 -2.619445 1.042427
H 7.577268 -0.958862 0.680389
H 0.408892 -2.876576 1.482757
H 0.079292 0.432912 -1.327003
H -2.079091 -3.196251 1.362242
H -2.375276 0.141253 -1.397239
H -3.702528 0.842982 0.671670
H -6.002450 -2.344113 -1.210957
H -7.680172 1.656456 -0.853642
H 9.416146 1.754587 -0.606707
H 8.780915 0.130011 -0.591981
H -7.906909 -0.724174 -1.569040
H 7.828054 3.548776 -0.558433
H -6.621117 4.479675 1.028604
H -7.566525 3.035159 0.781911
H -4.212316 4.224560 0.979849


