%chk=000029806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029806

0 1
 O    6.001900      0.8326000     -0.2851000    
 N   -1.349800      0.1060000      0.4659000    
 N    3.214000      0.3076000     -5.3599998E-02
 N  -0.9775000       2.260400      6.5800004E-02
 N  -0.9879000      -3.586400     -5.5100001E-02
 C   -1.090100      -1.268600      0.8304000    
 C   0.9815000      0.9148000      0.8005000    
 C  -0.4662000       1.127100      0.4320000    
 C    1.817900      0.5332000     -0.4224000    
 C   -1.350500      -2.206700     -0.3631000    
 C   -2.561400      0.6217000      8.2999997E-02
 C    3.813400       1.532300      0.4945000    
 C    3.990500     -0.1587000      -1.210800    
 C   -2.302700       1.967900     -0.1611000    
 C   -1.862400      -1.668200       2.093300    
 C    5.272700       1.276300      0.8599000    
 C    5.445200     -0.3757000     -0.8044000    
 C   -3.822800      4.4300001E-02 -6.6200003E-02
 C   -3.353200       2.802000     -0.5795000    
 C   -4.856500      0.8891000     -0.4835000    
 C   0.4636000      -3.716500      0.2390000    
 C   -1.391700      -4.478200      -1.143400    
 C   -4.628000       2.243700     -0.7359000    
 H  -3.4000002E-02  -1.331100       1.086200    
 H    1.306100       1.884700       1.196800    
 H    1.108700      0.2107000       1.628600    
 H    1.731100       1.308400      -1.196000    
 H    1.406900     -0.3882000     -0.8546000    
 H  -0.7978000      -1.849700      -1.243500    
 H   -2.408700      -2.184400     -0.6378000    
 H    3.322200       1.856300       1.415800    
 H    3.755600       2.349100     -0.2366000    
 H    3.944600      0.5795000      -2.022200    
 H    3.582700      -1.103700      -1.587300    
 H   -1.737500     -0.9166000       2.881200    
 H   -2.934000      -1.786700       1.913900    
 H   -1.494400      -2.620000       2.491000    
 H    5.737900       2.203200       1.210600    
 H    5.365400      0.5345000       1.662600    
 H    5.542300      -1.173900     -5.8400001E-02
 H    6.037000     -0.6658000      -1.678500    
 H   -4.029100     -0.9990000      0.1329000    
 H   -3.186100       3.855800     -0.7782000    
 H   -5.857200      0.4836000     -0.6111000    
 H   0.7254000      -3.261000       1.197800    
 H    1.079500      -3.280400     -0.5551000    
 H   0.7307000      -4.775400      0.3346000    
 H   -2.472500      -4.419900      -1.313500    
 H   -1.172300      -5.520300     -0.8866000    
 H  -0.8782000      -4.238500      -2.081400    
 H   -5.451800       2.875400      -1.058400    


%chk=000029806-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000029806

0 1
O 6.033868 0.312895 -0.170145
N -1.423748 0.191652 0.487109
N 3.127754 0.350838 0.021682
N -1.185858 2.452383 0.146194
N -0.570159 -3.456699 -0.148298
C -1.058842 -1.200896 0.846133
C 0.902501 1.229971 0.824959
C -0.561142 1.313297 0.498391
C 1.747209 0.719828 -0.375263
C -1.201461 -2.141189 -0.388200
C -2.692869 0.664256 0.093569
C 3.946988 1.520725 0.441120
C 3.828869 -0.394834 -1.059246
C -2.521952 2.077717 -0.113329
C -1.837610 -1.716540 2.074025
C 5.339726 1.053974 0.895644
C 5.217402 -0.842300 -0.574994
C -3.943061 0.035030 -0.102296
C -3.612809 2.878066 -0.520615
C -5.020102 0.850775 -0.509653
C 0.900623 -3.435024 -0.284819
C -1.181507 -4.547436 -0.935897
C -4.860465 2.252095 -0.716112
H 0.011119 -1.171160 1.117325
H 1.214929 2.248612 1.108202
H 1.093309 0.568345 1.690905
H 1.728003 1.496381 -1.179795
H 1.274261 -0.188442 -0.796535
H -0.774958 -1.621131 -1.283491
H -2.274039 -2.306029 -0.596859
H 3.450771 2.035441 1.283630
H 4.057319 2.256171 -0.395601
H 3.949967 0.231292 -1.978991
H 3.227886 -1.284973 -1.328973
H -1.611120 -1.108435 2.967413
H -2.928658 -1.687367 1.911590
H -1.539699 -2.762150 2.262165
H 5.989382 1.913889 1.127885
H 5.238092 0.408110 1.794732
H 5.104692 -1.540917 0.282688
H 5.781893 -1.335126 -1.383898
H -4.094916 -1.037794 0.048635
H -3.475732 3.952555 -0.676348
H -6.003232 0.394237 -0.670628
H 1.347458 -2.684296 0.390512
H 1.237446 -3.203676 -1.328601
H 1.311944 -4.420658 -0.003763
H -2.265452 -4.594700 -0.730950
H -0.736887 -5.513427 -0.635692
H -1.040900 -4.434616 -2.040230
H -5.723734 2.847880 -1.032289


