%chk=000048271.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048271

0 1
 O  -0.1060000     -0.6645000     -0.4699000    
 O    1.734300      -1.731000      0.4228000    
 O    7.533000      0.1403000      0.1927000    
 N   -4.262000      0.1359000     -0.1914000    
 C   -4.750400       1.468500      0.2244000    
 C   -5.156700     -0.9707000      0.2150000    
 C   -6.168000       1.717600     -0.3264000    
 C   -6.571500     -0.7445000     -0.3442000    
 C   -7.139700      0.6099000      5.5799998E-02
 C   -2.875100     -0.1199000      0.1983000    
 C   -3.846400       2.612700     -0.2608000    
 C   -5.199300      -1.251600       1.726000    
 C   -2.379100      -1.417900     -0.4309000    
 C  -0.9434000      -1.722600     -2.5200000E-02
 C    1.227700     -0.7933000     -0.1781000    
 C    1.970900      0.4068000     -0.7150000    
 C    3.456400      0.3353000     -0.4723000    
 C    3.983100      0.8673000      0.6953000    
 C    4.273900     -0.2609000      -1.421200    
 C    5.358400      0.8017000      0.9191000    
 C    5.649200     -0.3265000      -1.197200    
 C    6.191400      0.2048000     -2.7200000E-02
 C    8.019200      0.7025000       1.410500    
 H   -4.788100       1.527500       1.319600    
 H   -4.853200      -1.899400     -0.2774000    
 H   -6.553600       2.673700      4.8500001E-02
 H   -6.132200       1.800000      -1.421100    
 H   -6.538600     -0.8050000      -1.440500    
 H   -7.248400      -1.540300     -1.0900000E-02
 H   -8.102800      0.7716000     -0.4411000    
 H   -7.330300      0.6377000       1.134700    
 H   -2.749500     -0.1323000       1.287100    
 H   -2.226800      0.6753000     -0.1818000    
 H   -4.325000       3.583500     -8.7800004E-02
 H   -3.638600       2.532400      -1.333600    
 H   -2.894700       2.637300      0.2792000    
 H   -5.923800      -2.044600       1.943900    
 H   -5.493300     -0.3743000       2.309400    
 H   -4.231600      -1.599400       2.100100    
 H   -2.441700      -1.342200      -1.523700    
 H   -2.955200      -2.291200     -0.1162000    
 H  -0.8699000      -1.821700       1.064300    
 H  -0.6235000      -2.661700     -0.4915000    
 H    1.778200      0.4837000      -1.791900    
 H    1.562700       1.308600     -0.2429000    
 H    3.341600       1.332300       1.438700    
 H    3.861200     -0.6793000      -2.334800    
 H    5.712300       1.233400       1.849100    
 H    6.293000     -0.7934000      -1.937700    
 H    7.834800       1.781100       1.457800    
 H    7.622300      0.1746000       2.284200    
 H    9.105300      0.5635000       1.419700    


%chk=000048271-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048271

0 1
O -0.066736 -1.476174 -1.138454
O 1.599868 -3.102911 -1.067154
O 6.304804 0.935080 1.519544
N -3.833562 0.164516 0.008879
C -3.922118 1.478049 0.728588
C -5.065911 -0.681155 0.153742
C -5.163219 2.264555 0.234055
C -6.298105 0.099518 -0.365383
C -6.467896 1.452006 0.355163
C -2.571204 -0.573603 0.272123
C -2.658798 2.340959 0.513478
C -5.300289 -1.255697 1.583851
C -2.417078 -1.848187 -0.586273
C -1.014058 -2.447958 -0.503088
C 1.228675 -1.942938 -1.363183
C 2.098744 -0.866156 -2.002494
C 3.191889 -0.367229 -1.056831
C 3.262806 0.996584 -0.695194
C 4.167789 -1.258716 -0.532494
C 4.280671 1.481712 0.160256
C 5.183827 -0.794736 0.320198
C 5.245963 0.578983 0.667817
C 6.418570 2.343369 1.902091
H -4.036654 1.315197 1.833285
H -4.931617 -1.543172 -0.526470
H -5.237554 3.206220 0.812372
H -4.994881 2.536912 -0.827470
H -6.158045 0.284436 -1.448285
H -7.203400 -0.527175 -0.246802
H -7.314558 2.015904 -0.081013
H -6.713152 1.290042 1.423950
H -2.450344 -0.849689 1.353205
H -1.729885 0.090964 0.017803
H -2.849540 3.364797 0.884193
H -2.418358 2.402315 -0.564176
H -1.774631 1.956736 1.050729
H -6.176650 -1.930229 1.579362
H -5.489945 -0.463761 2.329547
H -4.429454 -1.842000 1.931058
H -2.654397 -1.606835 -1.639632
H -3.122632 -2.637569 -0.260310
H -0.684359 -2.609041 0.540849
H -0.938073 -3.408267 -1.043253
H 2.559311 -1.320368 -2.900753
H 1.457917 -0.031641 -2.327931
H 2.516228 1.699350 -1.084517
H 4.115826 -2.323055 -0.787053
H 4.306830 2.545094 0.416437
H 5.939422 -1.472879 0.728473
H 6.570908 2.991142 1.016406
H 5.524494 2.684310 2.460270
H 7.303062 2.393691 2.553993


