%chk=000059587.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059587

0 1
 O   -2.431400      0.6586000     -0.8128000    
 O   0.5764000      0.6689000      -1.364200    
 N  -4.3299999E-02   1.986400      0.4454000    
 N    3.002200      0.1845000     -0.1600000    
 C   -1.192100       2.618400     -0.1630000    
 C    5.300100     -0.6648000     -0.2373000    
 C    4.100800     -0.3309000      0.6483000    
 C   -2.447500       1.779200      6.4400002E-02
 C    1.863500      0.5379000      0.6758000    
 C    6.472400      -1.187300      0.5938000    
 C   -1.365300       4.026700      0.3914000    
 C   0.7508000       1.057500     -0.2113000    
 C    7.657900      -1.555300     -0.2841000    
 C   -3.063800     -0.4751000     -0.3762000    
 C   -4.157400     -0.3768000      0.4842000    
 C   -2.613900      -1.728500     -0.7915000    
 C   -4.800900      -1.531500      0.9294000    
 C   -3.257500      -2.883300     -0.3464000    
 C   -4.350900      -2.784600      0.5141000    
 H  -0.9995000       2.689300      -1.240800    
 H    5.012200      -1.418900     -0.9809000    
 H    5.617200      0.2286000     -0.7903000    
 H    3.781300      -1.235400       1.179800    
 H    4.400700      0.4118000       1.397900    
 H   -2.480400       1.479200       1.120700    
 H   -3.340500       2.371400     -0.1688000    
 H    1.476600     -0.3376000       1.209400    
 H    2.147100       1.302600       1.408000    
 H   0.1405000       2.185200       1.424800    
 H    6.161000      -2.070700       1.163300    
 H    6.783300     -0.4264000       1.319100    
 H    3.317700       1.008100     -0.6726000    
 H   -1.556600       4.009300       1.470300    
 H   -2.200900       4.540200     -9.5100001E-02
 H  -0.4609000       4.622800      0.2269000    
 H    8.014800     -0.6862000     -0.8457000    
 H    8.484400      -1.925300      0.3306000    
 H    7.388500      -2.339600     -0.9987000    
 H   -4.558100      0.5791000      0.8081000    
 H   -1.761900      -1.811000      -1.460900    
 H   -5.656500      -1.455200       1.594000    
 H   -2.907300      -3.859200     -0.6698000    
 H   -4.852900      -3.683600      0.8594000    


%chk=000059587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059587

0 1
O -2.464726 0.019017 -0.254702
O 1.746191 2.397411 -0.613983
N -0.063158 1.202150 0.252759
N 3.455584 0.283139 -0.034915
C -1.120065 2.038670 -0.359149
C 5.858378 -0.321849 -0.202450
C 4.609581 -0.264243 0.698336
C -2.484239 1.460389 0.045640
C 2.219715 0.408536 0.741039
C 7.100163 -0.890030 0.520168
C -1.032266 3.516420 0.081151
C 1.284163 1.417955 0.053288
C 8.346374 -0.944639 -0.389876
C -3.625866 -0.731779 0.020552
C -4.811133 -0.188991 0.574048
C -3.544944 -2.109322 -0.298629
C -5.915664 -1.042375 0.806847
C -4.653784 -2.944884 -0.059731
C -5.846332 -2.417400 0.494924
H -1.016236 1.987386 -1.462214
H 5.622786 -0.935925 -1.093474
H 6.087652 0.699399 -0.574557
H 4.358719 -1.290434 1.038396
H 4.848204 0.324431 1.624309
H -2.661258 1.611059 1.131366
H -3.286918 1.963092 -0.528344
H 1.719844 -0.576977 0.848601
H 2.394742 0.789652 1.783057
H -0.363814 0.281802 0.586592
H 6.870770 -1.908843 0.894406
H 7.321835 -0.272055 1.414432
H 3.657568 1.169668 -0.521185
H -1.118334 3.604541 1.179573
H -1.843580 4.104143 -0.387110
H -0.065117 3.937595 -0.232133
H 8.614595 0.064873 -0.754732
H 9.222193 -1.354281 0.146349
H 8.162071 -1.581970 -1.275148
H -4.888075 0.873344 0.823586
H -2.618158 -2.497804 -0.732283
H -6.833129 -0.622933 1.234810
H -4.588147 -4.009694 -0.309071
H -6.706286 -3.069745 0.678157


