%chk=000058713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058713

0 1
 O    1.604500       2.710800       1.392300    
 O   -1.972100       2.312600      -1.203300    
 O    3.274800      -2.504500       1.225300    
 O    1.330600     -0.3480000      -2.191100    
 N  -0.9493000      0.2882000     -0.7801000    
 N   0.1019000     -0.4373000     -0.2403000    
 N   0.6644000       1.778700      0.9698000    
 N    2.106300      -1.821200      0.9108000    
 C   -1.950700     -0.5484000      -1.412600    
 C   -3.023800     -0.9662000     -0.4493000    
 C   -1.034600       1.677800     -0.7208000    
 C   -2.875200      -2.141000      0.2785000    
 C   -4.155600     -0.1742000     -0.2949000    
 C   4.2199999E-02   2.385000     -2.6100000E-02
 C    1.215000     -0.7143000      -1.022000    
 C   0.5061000       3.664400     -0.2974000    
 C   -3.872400      -2.529400       1.173200    
 C   -5.152700     -0.5625000      0.5997000    
 C    2.279700      -1.470800     -0.3487000    
 C    1.500400       3.829400      0.6301000    
 C   -5.011100      -1.740100       1.333800    
 C    3.483700      -1.871400     -0.9024000    
 C    4.087000      -2.527700      0.1377000    
 C    2.426500       4.924800      0.9428000    
 C    5.374700      -3.215000      0.2951000    
 H   -1.475600      -1.426800      -1.868700    
 H   -2.401800      1.0400000E-02  -2.242500    
 H   3.1000001E-03 -0.7291000      0.7268000    
 H   -1.992400      -2.763500      0.1617000    
 H   -4.280700      0.7434000     -0.8625000    
 H   0.1828000       4.372500      -1.046000    
 H   -3.762100      -3.446300       1.744900    
 H   -6.039800      5.1700000E-02  0.7243000    
 H   -5.787600      -2.042500       2.030300    
 H    3.875100      -1.719500      -1.897300    
 H    3.464000       4.596000      0.8288000    
 H    2.266800       5.779200      0.2777000    
 H    2.284900       5.266300       1.972900    
 H    5.956600      -3.181100     -0.6313000    
 H    5.968000      -2.744300       1.085100    
 H    5.220400      -4.265600      0.5600000    


%chk=000058713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058713

0 1
O 1.784362 3.241304 1.300575
O -1.810523 2.598883 -1.458228
O 3.102677 -2.520142 1.535131
O 0.990299 -0.965607 -2.283548
N -0.913340 0.542700 -0.840226
N 0.112664 -0.200894 -0.243932
N 0.933506 2.137897 0.858058
N 1.945376 -1.727990 1.138747
C -2.000460 -0.221418 -1.521377
C -2.896856 -0.954372 -0.534263
C -0.899150 1.939054 -0.869708
C -2.828504 -2.362954 -0.406488
C -3.810890 -0.231149 0.275423
C 0.194488 2.670256 -0.151051
C 1.016857 -0.917321 -1.019040
C 0.506350 4.053960 -0.390807
C -3.657434 -3.042532 0.515727
C -4.638086 -0.906841 1.197974
C 2.032275 -1.664998 -0.214023
C 1.498340 4.377182 0.516346
C -4.563187 -2.315279 1.320796
C 3.170403 -2.371367 -0.732045
C 3.817232 -2.890054 0.376169
C 2.285387 5.609015 0.821199
C 5.044497 -3.713067 0.589884
H -1.519137 -0.918323 -2.229120
H -2.563496 0.533295 -2.095685
H 0.245074 -0.132947 0.772389
H -2.125189 -2.928092 -1.030791
H -3.872977 0.859487 0.175019
H 0.032176 4.687836 -1.133871
H -3.596013 -4.132739 0.606699
H -5.342818 -0.340587 1.817271
H -5.206233 -2.839388 2.036785
H 3.442306 -2.460347 -1.779533
H 3.366544 5.436316 0.673597
H 1.969922 6.432070 0.160991
H 2.138753 5.924406 1.869646
H 5.514089 -3.949650 -0.377775
H 5.779856 -3.174359 1.213909
H 4.802861 -4.660747 1.103477


