%chk=000046162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046162

0 1
 O    1.124800      -4.420800      0.3823000    
 O    2.679200      -2.094500      0.2099000    
 O    5.872200       3.080900      -1.596400    
 N   -1.560400      -2.002500     -0.4500000    
 N   -3.678500     -0.1237000     -7.2899997E-02
 C   -1.785800      -1.390700      0.8652000    
 C   -2.841700      -2.179100      -1.144800    
 C   -2.454500     -2.0700000E-02  0.7275000    
 C   -3.544500     -0.8353000      -1.350200    
 C  -0.8729000      -3.285500     -0.3081000    
 C   0.5148000      -3.128600      0.3181000    
 C   -4.658300      0.8706000      2.6200000E-02
 C    1.432100      -2.196500     -0.4704000    
 C   -4.312800       2.202600      0.3308000    
 C   -6.020300      0.5698000     -0.1753000    
 C   -5.289600       3.193300      0.4301000    
 C   -6.997100       1.560700     -7.5999998E-02
 C    3.368500     -0.9212000      5.8600001E-02
 C   -6.631600       2.872500      0.2267000    
 C    3.674900     -0.1335000       1.164200    
 C    3.758000     -0.5274000      -1.218100    
 C    4.377500       1.058900      0.9914000    
 C    4.770500       1.458200     -0.2861000    
 C    4.460800      0.6650000      -1.390700    
 C    3.261300     -0.5452000       2.538700    
 C    5.505500       2.699900     -0.4667000    
 C    5.847800       3.572600      0.7360000    
 H   -2.406100      -2.041600       1.496100    
 H  -0.8485000      -1.210900       1.399600    
 H   -2.675500      -2.631500      -2.130100    
 H   -3.499000      -2.854900     -0.5811000    
 H   -2.681200      0.3507000       1.734700    
 H   -1.758200      0.6841000      0.2546000    
 H   -2.972800     -0.2132000      -2.051100    
 H   -4.520300      -1.027800      -1.810900    
 H  -0.7513000      -3.753800      -1.294400    
 H   -1.462900      -3.997200      0.2858000    
 H   0.4531000      -2.800600       1.360300    
 H    1.623700      -2.612500      -1.466600    
 H   0.9753000      -1.205600     -0.5780000    
 H   -3.276300       2.493000      0.4833000    
 H   -6.330500     -0.4484000     -0.3996000    
 H    2.011200      -4.306300      0.7661000    
 H   -5.005300       4.215400      0.6630000    
 H   -8.042400       1.310700     -0.2315000    
 H   -7.392100       3.644000      0.3040000    
 H    3.531300      -1.139600      -2.086500    
 H    4.606200       1.658200       1.867700    
 H    4.757900      0.9534000      -2.395500    
 H    3.699300      -1.516200       2.792500    
 H    2.170300     -0.6170000       2.600500    
 H    3.588300      0.1719000       3.299200    
 H    6.396400       4.455500      0.3925000    
 H    4.933500       3.914400       1.228000    
 H    6.490900       3.025100       1.430000    


%chk=000046162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046162

0 1
O 1.157920 -3.773545 0.921589
O 2.424345 -1.225068 0.853449
O 6.400893 3.034872 -1.942012
N -1.807957 -1.728357 -0.082103
N -4.290802 -0.228574 -0.143654
C -2.592499 -1.487285 1.154823
C -2.734066 -1.838048 -1.236835
C -3.419368 -0.193910 1.045506
C -3.546610 -0.541523 -1.386050
C -0.885333 -2.884031 0.034570
C 0.411012 -2.516559 0.779012
C -5.428894 0.619743 -0.198384
C 1.232599 -1.479517 0.011415
C -5.710789 1.564156 0.835351
C -6.360127 0.525102 -1.278393
C -6.875979 2.359733 0.793289
C -7.513410 1.332303 -1.314361
C 3.393264 -0.324203 0.391839
C -7.789077 2.257064 -0.278830
C 4.512726 -0.139323 1.258587
C 3.293746 0.369335 -0.841070
C 5.518179 0.757161 0.846983
C 5.443732 1.464784 -0.385905
C 4.315755 1.255745 -1.221301
C 4.592230 -0.893317 2.569795
C 6.504957 2.421130 -0.836537
C 7.722654 2.648444 0.057418
H -3.284920 -2.342473 1.359697
H -1.905297 -1.395190 2.015055
H -2.141097 -1.999084 -2.155975
H -3.438902 -2.699240 -1.120003
H -4.045048 -0.113257 1.950988
H -2.728466 0.681572 1.020416
H -2.846503 0.290152 -1.632629
H -4.247143 -0.651692 -2.227665
H -0.614360 -3.230306 -0.980669
H -1.344533 -3.753698 0.560874
H 0.180077 -2.099232 1.782588
H 1.554899 -1.887979 -0.967303
H 0.648685 -0.551532 -0.131641
H -5.013969 1.703046 1.666864
H -6.202834 -0.202662 -2.080992
H 2.048092 -3.550076 1.298183
H -7.060188 3.075749 1.602987
H -8.210100 1.227655 -2.154449
H -8.689305 2.879373 -0.310006
H 2.430776 0.223585 -1.496519
H 6.379472 0.904689 1.507965
H 4.265694 1.804930 -2.167284
H 4.620244 -1.986652 2.403232
H 3.705950 -0.694945 3.199686
H 5.495003 -0.608535 3.136044
H 8.390626 3.376057 -0.427769
H 7.423222 3.037382 1.048647
H 8.275726 1.705153 0.224085


