%chk=000142479.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142479

0 1
 O    5.476300       1.161000      0.1921000    
 O    5.398100     -0.5506000      -1.187000    
 N   -1.260500      0.1393000      8.8600002E-02
 N  -0.5628000     -0.5273000      0.8759000    
 N   -3.127300      -2.615700      8.0899999E-02
 N    4.854600      0.2247000     -0.3644000    
 C   -3.534900      0.8326000     -0.6421000    
 C   -2.695600     -2.8200001E-02  0.3757000    
 C   -3.273900       2.345200     -0.4551000    
 C   -3.185900      0.4737000      -2.108000    
 C   -5.053700      0.6015000     -0.4633000    
 C   -2.916900      0.3371000       1.851600    
 C   -2.936300      -1.477900      0.2084000    
 C   0.7944000     -0.3388000      0.5653000    
 C    1.504700      0.6935000       1.170100    
 C    1.418700      -1.186100     -0.3453000    
 C    2.852100      0.8808000      0.8613000    
 C    2.766200     -0.9991000     -0.6541000    
 C    3.482900      3.4400001E-02 -5.0600000E-02
 H   -3.605600       2.695300      0.5278000    
 H   -2.209900       2.583500     -0.5589000    
 H   -3.815500       2.934400      -1.204600    
 H   -2.128900      0.6585000      -2.327900    
 H   -3.399700     -0.5765000      -2.332500    
 H   -3.771500       1.078500      -2.810800    
 H   -5.626700       1.188900      -1.190900    
 H   -5.327700     -0.4481000     -0.6117000    
 H   -5.398000      0.9044000      0.5305000    
 H   -3.976100      0.2888000       2.124800    
 H   -2.401700     -0.3454000       2.539900    
 H   -2.554800       1.346100       2.076700    
 H    1.020800       1.356800       1.882100    
 H   0.8674000      -1.994000     -0.8191000    
 H    3.378300       1.696100       1.351000    
 H    3.224000      -1.678000      -1.369000    


%chk=000142479-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000142479

0 1
O 5.538254 1.340276 -0.032370
O 5.795017 -0.875517 -0.512217
N -1.339723 0.308611 0.376271
N -0.571870 -0.705178 0.146660
N -3.354335 -2.586057 -0.131279
N 5.069724 0.153550 -0.229610
C -3.596621 0.943036 -0.497543
C -2.805849 -0.037100 0.491309
C -3.407259 2.417235 -0.053869
C -3.033150 0.758479 -1.932647
C -5.107134 0.590497 -0.494544
C -3.146280 0.181262 1.996096
C -3.090393 -1.454216 0.135961
C 0.838426 -0.391254 0.070159
C 1.397649 0.900463 0.277946
C 1.671034 -1.498065 -0.232145
C 2.786382 1.079295 0.180318
C 3.064554 -1.328514 -0.333912
C 3.598893 -0.038927 -0.125122
H -3.924859 2.633012 0.897906
H -2.338981 2.667467 0.061422
H -3.838998 3.083623 -0.822947
H -1.982578 1.093996 -1.999650
H -3.081732 -0.297280 -2.256585
H -3.627281 1.358237 -2.645291
H -5.638445 1.278255 -1.177720
H -5.288087 -0.440951 -0.845334
H -5.563227 0.702490 0.505708
H -4.230676 0.084931 2.165877
H -2.627758 -0.571796 2.612942
H -2.816183 1.182886 2.314615
H 0.733604 1.737092 0.513378
H 1.200951 -2.474521 -0.382251
H 3.257325 2.053951 0.332679
H 3.734204 -2.159867 -0.566810


