%chk=000070835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070835

0 1
 O   0.3185000       2.135600     -0.6021000    
 O    1.144000      -2.479400     -0.4123000    
 N   0.7563000     -0.1713000     -0.5133000    
 N   -1.009800      -1.730200      5.0000001E-02
 N   -2.493900       1.441300      0.1433000    
 N   -3.178400     -0.6523000      0.4881000    
 C    2.153200      4.7300000E-02 -0.8738000    
 C   -1.402600      0.6450000     -5.4900002E-02
 C    3.044200      0.2505000      0.3473000    
 C   -1.848900     -0.6301000      0.1620000    
 C  -6.3100003E-02  0.9843000     -0.4111000    
 C   0.3509000      -1.538000     -0.2979000    
 C    4.505500      0.5075000     -2.7400000E-02
 C   -3.538300      0.6145000      0.4680000    
 C   -1.531700      -3.069700      0.2910000    
 C   -2.563600       2.879000      3.7599999E-02
 C    5.357600      0.7659000       1.205400    
 H    2.517500     -0.8062000      -1.457300    
 H    2.222500      0.9250000      -1.527300    
 H    2.983400     -0.6306000      0.9983000    
 H    2.665900       1.095500      0.9366000    
 H    4.570800       1.373400     -0.6963000    
 H    4.905900     -0.3554000     -0.5719000    
 H   -4.531400      0.9879000      0.6783000    
 H  -0.7574000      -3.830800      0.1660000    
 H   -2.340600      -3.269200     -0.4187000    
 H   -1.916700      -3.122600       1.314000    
 H   -3.580800       3.212700      0.2576000    
 H   -1.868100       3.313300      0.7601000    
 H   -2.293700       3.164600     -0.9821000    
 H    5.336300     -9.3099996E-02   1.883800    
 H    6.397900      0.9448000      0.9162000    
 H    5.001000       1.644800       1.751900    


%chk=000070835-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070835

0 1
O 0.338257 2.205676 -0.644154
O 1.192256 -2.428544 -0.365551
N 0.734781 -0.127303 -0.514352
N -0.996845 -1.711203 0.070250
N -2.603494 1.468166 0.121614
N -3.220971 -0.705643 0.495746
C 2.164125 0.101185 -0.868901
C -1.457568 0.679787 -0.071725
C 3.064681 0.256880 0.374846
C -1.873514 -0.641618 0.165843
C -0.106632 1.035252 -0.424747
C 0.358462 -1.482633 -0.272900
C 4.540483 0.486657 -0.021747
C -3.623337 0.593161 0.456507
C -1.465254 -3.086560 0.329742
C -2.688675 2.931034 -0.014569
C 5.465646 0.639649 1.204079
H 2.495596 -0.760904 -1.471486
H 2.195259 1.019711 -1.478956
H 2.986296 -0.655208 0.997035
H 2.705769 1.110840 0.981614
H 4.613839 1.393237 -0.656333
H 4.888292 -0.363255 -0.643421
H -4.637129 0.928377 0.662691
H -0.605184 -3.759710 0.203759
H -2.265936 -3.352934 -0.380263
H -1.864120 -3.162891 1.355010
H -3.720262 3.248162 0.207686
H -1.991235 3.421386 0.682914
H -2.419690 3.236756 -1.038199
H 5.436900 -0.266403 1.838021
H 6.515145 0.805249 0.898785
H 5.156459 1.497640 1.830262


