%chk=000027115.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027115

0 1
 O    1.278000       1.814000      0.1826000    
 O   -1.829400      -1.079000       1.670000    
 N    2.150800      -1.549100      0.1802000    
 N    2.548400     -0.1993000      0.2376000    
 N   -1.014900      8.5699998E-02 -0.1971000    
 N   -6.488700     -0.8369000      -1.228100    
 C   0.2615000     -0.3307000     -4.3299999E-02
 C   0.7730000      -1.567900     -4.1700002E-02
 C    1.400500      0.6001000      0.1689000    
 C   -1.307300      0.9854000      -1.333300    
 C    3.887100      0.2270000      5.0799999E-02
 C   3.2200001E-02  -2.853400     -0.1948000    
 C    2.773200      -2.495600       1.100700    
 C   -2.018900     -0.3324000      0.7096000    
 C   -1.688100      0.2058000      -2.574900    
 C   -3.397200      0.1543000      0.5294000    
 C    4.263300       1.532300      0.3825000    
 C    4.841500     -0.6542000     -0.4672000    
 C    5.580800       1.952000      0.1983000    
 C    6.158900     -0.2345000     -0.6511000    
 C   -4.276200     -0.5704000     -0.2596000    
 C   -3.789400       1.328000       1.153100    
 C    6.528600       1.068500     -0.3183000    
 C   -5.581800     -0.1095000     -0.4293000    
 C   -5.094800       1.789100      0.9831000    
 C   -5.991100       1.070400      0.1920000    
 H   -2.114900       1.673700      -1.069700    
 H  -0.4366000       1.609400      -1.558700    
 H   0.5325000      -3.492800     -0.9298000    
 H  -0.9925000      -2.702100     -0.5476000    
 H  -1.1300000E-02  -3.390800      0.7577000    
 H    3.824100      -2.280100       1.307500    
 H    2.721100      -3.509200      0.6892000    
 H    2.250600      -2.488400       2.064400    
 H   -2.558200     -0.4339000      -2.416200    
 H   -1.919200      0.8919000      -3.395800    
 H  -0.8640000     -0.4389000      -2.898700    
 H    3.563300       2.240800      0.8134000    
 H    4.587000      -1.664300     -0.7752000    
 H    5.870700       2.964800      0.4629000    
 H    6.895200     -0.9194000      -1.061500    
 H   -3.956500      -1.495000     -0.7342000    
 H   -3.097100       1.893500       1.770500    
 H    7.554200       1.395500     -0.4621000    
 H   -5.413400       2.707900       1.466900    
 H   -7.005700       1.440100      6.7699999E-02
 H   -6.191800      -1.690800      -1.681300    
 H   -7.434600     -0.5018000      -1.353100    


%chk=000027115-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027115

0 1
O 1.451545 1.919052 -0.350403
O -1.643220 -0.652137 1.911278
N 2.114350 -1.516936 0.351238
N 2.531427 -0.159892 0.167256
N -1.106046 0.147735 -0.222535
N -6.237122 -0.408143 -1.880523
C 0.249510 -0.246648 -0.042728
C 0.708548 -1.524138 0.249412
C 1.388722 0.676575 -0.094158
C -1.372080 1.093478 -1.352259
C 3.891889 0.150595 -0.128727
C -0.084320 -2.771986 0.479281
C 2.786378 -2.253845 1.453036
C -2.024146 -0.132855 0.812847
C -1.214944 0.428924 -2.732623
C -3.485273 0.169425 0.591310
C 4.380687 1.450285 0.163746
C 4.744451 -0.815608 -0.725180
C 5.720999 1.769391 -0.138680
C 6.087995 -0.485514 -1.003202
C -4.164279 -0.218738 -0.587522
C -4.202559 0.758592 1.663544
C 6.584327 0.806124 -0.711757
C -5.566318 -0.010912 -0.721065
C -5.589079 0.982218 1.525529
C -6.272703 0.607943 0.350976
H -2.385465 1.501680 -1.224143
H -0.651015 1.926580 -1.257526
H 0.491857 -3.680841 0.235690
H -0.988539 -2.750696 -0.153508
H -0.440474 -2.818940 1.525425
H 3.874465 -2.258008 1.289084
H 2.423968 -3.293063 1.446212
H 2.565895 -1.794709 2.435959
H -1.931378 -0.401125 -2.874580
H -1.388129 1.175997 -3.528530
H -0.194174 0.028223 -2.863813
H 3.707086 2.191293 0.599293
H 4.343715 -1.797876 -0.996741
H 6.093077 2.775719 0.082848
H 6.741921 -1.234915 -1.463194
H -3.614412 -0.707596 -1.400736
H -3.672032 1.017031 2.584081
H 7.626231 1.060302 -0.934170
H -6.147448 1.449337 2.344589
H -7.352173 0.782099 0.261535
H -5.738744 -0.846110 -2.649170
H -7.240069 -0.277569 -1.970295


