%chk=000048674.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048674

1 1
 O   0.1360000      0.3653000      0.6877000    
 O    1.016200       1.472700      -1.143400    
 N   -2.209400      -2.092700     -0.1848000    
 N    2.390500      4.1099999E-02  6.9700003E-02
 N   -3.212200      0.9758000     -0.6392000    
 C   -1.755800     -0.9092000      -1.027200    
 C   -3.706300      -1.990100      6.9799997E-02
 C   -1.908400      -3.387500     -0.9257000    
 C   -1.467200      -2.084100       1.143800    
 C    3.557200      0.2760000     -0.7689000    
 C    2.577500     -0.8845000       1.182400    
 C   -2.015600      0.4142000     -0.3699000    
 C   -1.053500      0.9745000      0.4494000    
 C    1.181900      0.6887000     -0.2094000    
 C    3.961400       1.743500     -0.7148000    
 C    3.285000     -0.1693000      -2.200500    
 C    3.633700     -0.3520000       2.142100    
 C    2.947000      -2.270500      0.6687000    
 C   -1.340400       2.202100       1.035800    
 C   -3.455400       2.168600     -5.1399998E-02
 C   -2.562100       2.817300      0.7858000    
 H   -2.302600     -0.9631000      -1.977800    
 H  -0.6964000      -1.055400      -1.266900    
 H   -4.219600      -1.872800     -0.8892000    
 H   -4.030900      -2.916400      0.5550000    
 H   -3.913000      -1.149800      0.7376000    
 H  -0.8297000      -3.444200      -1.099600    
 H   -2.239000      -4.228000     -0.3083000    
 H   -2.450300      -3.376300      -1.876000    
 H  -0.3932000      -2.096200      0.9463000    
 H   -1.778400      -1.230100       1.748800    
 H   -1.740300      -2.999600       1.679800    
 H    4.411400     -0.3054000     -0.4113000    
 H    1.643400     -0.9770000       1.743900    
 H    4.917000       1.889900      -1.230900    
 H    3.238500       2.410000      -1.193300    
 H    4.090100       2.080000      0.3197000    
 H    2.929900      -1.205100      -2.230000    
 H    4.205700     -0.1180000      -2.792700    
 H    2.543600      0.4503000      -2.712700    
 H    3.681100     -0.9815000       3.037800    
 H    4.640000     -0.3318000       1.713300    
 H    3.387800      0.6653000       2.466100    
 H    2.208200      -2.624300     -5.9200000E-02
 H    2.965400      -2.987800       1.496800    
 H    3.930400      -2.307900      0.1908000    
 H  -0.6177000       2.683900       1.688500    
 H   -4.422100       2.606200     -0.2781000    
 H   -2.807300       3.774100       1.232400    


%chk=000048674-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048674

1 1
O 0.564782 0.223823 1.172361
O 0.717837 0.462188 -1.177434
N -2.718096 -2.065189 -0.713006
N 2.646582 0.057280 0.124246
N -3.108104 0.550474 0.567415
C -1.539233 -1.109871 -0.425550
C -3.736021 -1.400511 -1.648746
C -2.138265 -3.292857 -1.415000
C -3.415743 -2.512865 0.571205
C 3.572196 0.052786 -1.071602
C 3.250375 -0.123326 1.493758
C -1.828998 0.082105 0.475168
C -0.762069 0.710500 1.174636
C 1.321959 0.268467 -0.088713
C 3.590585 1.420792 -1.788995
C 3.259129 -1.118103 -2.029525
C 4.211927 1.038383 1.831842
C 3.931370 -1.504872 1.621437
C -1.038053 1.829941 1.989648
C -3.369704 1.632798 1.353246
C -2.362828 2.302057 2.083364
H -1.163785 -0.753182 -1.400726
H -0.738839 -1.723275 0.025951
H -3.228513 -1.142645 -2.591249
H -4.551372 -2.115618 -1.840209
H -4.101876 -0.494634 -1.145246
H -1.477860 -3.832047 -0.718557
H -2.964997 -3.948156 -1.728821
H -1.566180 -2.966173 -2.296834
H -2.662530 -2.915822 1.266048
H -3.918456 -1.642935 1.013862
H -4.148569 -3.293753 0.314924
H 4.573575 -0.119659 -0.639154
H 2.407215 -0.089297 2.199687
H 4.353469 1.405477 -2.587622
H 2.613467 1.642410 -2.247855
H 3.847346 2.234295 -1.088121
H 3.287481 -2.086632 -1.498771
H 4.016510 -1.148022 -2.832776
H 2.269347 -0.988496 -2.497786
H 4.579983 0.919630 2.866268
H 5.095161 1.057894 1.168211
H 3.700544 2.014153 1.758857
H 3.224781 -2.322570 1.394229
H 4.290272 -1.639973 2.656986
H 4.807123 -1.604409 0.954973
H -0.217027 2.308279 2.531418
H -4.412644 1.961509 1.391214
H -2.611156 3.168553 2.702146


