%chk=000087072.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087072

0 1
 O   -4.738500      0.2324000      0.5003000    
 O    3.865100     -0.6921000      0.2581000    
 O   -4.485400      -1.545100     -0.8732000    
 O   -1.402700       2.164500      -1.325000    
 O    3.514200       1.409800     -0.7106000    
 N   -2.212200      0.9082000      0.4604000    
 C   -1.719400      -1.492100      0.3139000    
 C   -2.500400     -0.3045000     -0.2637000    
 C  -0.2250000      -1.277800      0.2990000    
 C   0.5068000      -1.677000     -0.8076000    
 C   0.3866000     -0.6860000       1.392500    
 C   -3.991200     -0.6087000     -0.2539000    
 C    1.887600      -1.479300     -0.8212000    
 C    1.767400     -0.4880000       1.378900    
 C    2.517900     -0.8847000      0.2719000    
 C   -1.685700       2.043600     -0.1360000    
 C   -1.506300       3.173600      0.8421000    
 C    4.262900      0.5440000     -0.2775000    
 C    5.758200      0.6593000     -0.2484000    
 H   -2.044800      -1.691500       1.344700    
 H   -1.960400      -2.408900     -0.2409000    
 H   -2.225700     -0.1531000      -1.314800    
 H   -2.451900      0.9378000       1.447500    
 H   2.4300000E-02  -2.138700      -1.664200    
 H  -0.1871000     -0.3759000       2.261200    
 H    2.466300      -1.790700      -1.686700    
 H    2.252200     -2.5200000E-02   2.234300    
 H  -0.8855000       3.953800      0.3932000    
 H   -2.483500       3.592000       1.098000    
 H   -1.013700       2.814900       1.750500    
 H   -5.690300     -3.8000001E-03  0.4793000    
 H    6.113000      0.5963000      0.7831000    
 H    6.055600       1.627000     -0.6619000    
 H    6.201000     -0.1324000     -0.8576000    


%chk=000087072-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087072

0 1
O -4.791830 -0.123873 1.093897
O 3.932005 -0.107711 -0.216008
O -4.535919 -2.052681 -0.177279
O -1.991194 1.517419 -2.035449
O 4.945101 -0.433864 1.888354
N -2.555815 1.010522 0.164382
C -1.652939 -1.297456 0.700616
C -2.682199 -0.422907 -0.089467
C -0.191327 -0.927181 0.480815
C 0.310464 -0.520202 -0.783569
C 0.724212 -1.050747 1.554250
C -4.078533 -0.963460 0.223662
C 1.682440 -0.258818 -0.960920
C 2.105929 -0.796339 1.400357
C 2.573153 -0.400998 0.125918
C -2.233886 1.903932 -0.850071
C -2.170771 3.369168 -0.440310
C 5.023669 -0.145336 0.676584
C 6.282530 0.219182 -0.079382
H -1.887565 -1.240905 1.781586
H -1.828740 -2.348149 0.394921
H -2.520003 -0.556487 -1.175037
H -2.816265 1.361436 1.086742
H -0.364103 -0.376687 -1.634192
H 0.357840 -1.358094 2.541700
H 2.075180 0.059856 -1.930940
H 2.793418 -0.898976 2.239863
H -1.127276 3.720591 -0.523296
H -2.774438 3.965250 -1.144906
H -2.525987 3.554996 0.587858
H -5.677852 -0.532059 1.292106
H 6.443550 -0.487335 -0.911904
H 7.142865 0.193097 0.604379
H 6.183687 1.226515 -0.519561


