%chk=000050821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050821

0 1
 O   0.9111000      0.5480000     -0.1063000    
 O    2.049900       2.497300     -0.5566000    
 N   -2.739400      0.9839000     -5.9200000E-02
 N    6.688200      -1.876200      7.1999997E-02
 C   -3.876200      8.5299999E-02  0.1319000    
 C   -3.808700      -1.063000     -0.8809000    
 C   -5.187100      0.8675000     -5.9000002E-03
 C   -5.023200      -1.982200     -0.7615000    
 C   -6.400000     -5.3900000E-02  0.1118000    
 C   -6.330900      -1.205700     -0.8869000    
 C   -1.483300      0.2626000      7.7500001E-02
 C   -1.364500     -0.3894000       1.468100    
 C  -0.3304000       1.238700     -0.1788000    
 C   -1.405800      0.6100000       2.617800    
 C    2.026200       1.300300     -0.3159000    
 C    3.249900      0.4655000     -0.2151000    
 C    4.357400      0.8127000     -0.9613000    
 C    3.242200     -0.6311000      0.6226000    
 C    5.507500      2.8999999E-02 -0.8657000    
 C    4.392300      -1.414600      0.7182000    
 C    5.524900      -1.084600     -2.6000001E-02
 H   -3.892500     -0.3201000       1.149100    
 H   -2.939400      -1.709200     -0.7289000    
 H   -3.753400     -0.6712000      -1.905100    
 H   -5.222800       1.380100     -0.9764000    
 H   -5.247000       1.644900      0.7658000    
 H   -4.979100      -2.755200      -1.537300    
 H   -4.997200      -2.498700      0.2061000    
 H   -6.455300     -0.4566000       1.130700    
 H   -7.317300      0.5223000     -5.3599998E-02
 H   -6.423400     -0.8103000      -1.906000    
 H   -7.178300      -1.882300     -0.7287000    
 H   -2.790700       1.414800     -0.9822000    
 H   -1.360000     -0.5177000     -0.6804000    
 H  -0.4064000     -0.9226000       1.526700    
 H   -2.113000      -1.172200       1.626600    
 H  -0.3357000       2.072700      0.5329000    
 H  -0.4298000       1.661000      -1.187700    
 H   -2.324200       1.204100       2.614800    
 H   -1.367500      7.1599998E-02   3.571000    
 H  -0.5484000       1.288700       2.601200    
 H    4.354900       1.675400      -1.620800    
 H    2.378700     -0.9012000       1.222800    
 H    6.383600      0.2962000      -1.451100    
 H    4.394700      -2.278100       1.378600    
 H    7.508900      -1.638900     -0.4692000    
 H    6.700400      -2.685100      0.6788000    


%chk=000050821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050821

0 1
O 0.988730 0.373428 -0.181091
O 2.035375 2.397130 -0.684861
N -2.705196 0.724088 -0.216914
N 7.081863 -1.639862 0.114706
C -3.966508 -0.011139 0.043249
C -4.135126 -1.333818 -0.762957
C -5.159033 0.934504 -0.234464
C -5.487156 -2.020846 -0.450594
C -6.516802 0.255541 0.063666
C -6.675852 -1.068512 -0.722140
C -1.410930 0.050388 0.061329
C -1.308539 -0.430946 1.533883
C -0.316230 1.071530 -0.292125
C -1.515867 0.671811 2.594757
C 2.124610 1.172848 -0.401485
C 3.383628 0.409946 -0.260520
C 4.615613 1.097175 -0.438641
C 3.413203 -0.978294 0.045289
C 5.840041 0.426868 -0.315457
C 4.633036 -1.659930 0.169734
C 5.870390 -0.968299 -0.008341
H -3.988264 -0.266727 1.122985
H -3.298126 -2.026092 -0.544940
H -4.084020 -1.094244 -1.846922
H -5.131954 1.241572 -1.303202
H -5.036025 1.853348 0.368721
H -5.591164 -2.947266 -1.048471
H -5.502395 -2.326958 0.616539
H -6.585654 0.042608 1.150708
H -7.345991 0.948287 -0.178214
H -6.721246 -0.845093 -1.808471
H -7.631465 -1.560369 -0.455134
H -2.716530 1.138401 -1.160680
H -1.243094 -0.846789 -0.584929
H -0.311061 -0.893226 1.658222
H -2.047871 -1.240706 1.693097
H -0.331955 1.941889 0.385325
H -0.428666 1.444434 -1.329233
H -2.461094 1.214098 2.417982
H -1.543505 0.235069 3.609940
H -0.697512 1.413863 2.576295
H 4.583917 2.166296 -0.674354
H 2.467721 -1.511086 0.181122
H 6.781776 0.971499 -0.454520
H 4.641726 -2.731084 0.405654
H 7.963816 -1.151505 -0.012165
H 7.109287 -2.631331 0.335124


