%chk=000170234.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170234

0 1
 O  -6.0999999E-03  -1.557000       1.452000    
 N    1.149200      -1.896300     -0.5332000    
 N   -1.149300      -1.896600     -0.5383000    
 N    4.191300       1.335500      -1.182600    
 N   -4.195000       1.335600      -1.179200    
 C    2.483200      -1.803400      1.3400000E-02
 C   -2.481600      -1.802800      1.0800000E-02
 C    3.002400     -0.3948000     -7.8999996E-03
 C   -2.999600     -0.3937000     -9.4999997E-03
 C  -1.7000000E-03  -1.764400      0.2393000    
 C    2.788000      0.4494000       1.066700    
 C   -2.782400      0.4504000       1.064700    
 C    3.698900      7.9300001E-02  -1.098900    
 C   -3.700700      7.9899997E-02  -1.097800    
 C    3.279400       1.749300       1.017900    
 C   -3.275400       1.749700       1.018100    
 C    3.968200       2.139900     -0.1191000    
 C   -3.968700       2.140000     -0.1164000    
 H    3.129000      -2.459900     -0.5809000    
 H    2.486200      -2.195300       1.037500    
 H   -2.484700      -2.195500       1.034600    
 H   -3.128900      -2.458100     -0.5831000    
 H    1.049100      -2.043400      -1.532800    
 H   -1.047900      -2.043600      -1.537800    
 H    2.246300      0.1154000       1.946600    
 H   -2.238100      0.1166000       1.942900    
 H    3.891500     -0.5424000      -1.967400    
 H   -3.896000     -0.5418000      -1.965700    
 H    3.128400       2.434800       1.843900    
 H   -3.122400       2.435100       1.843800    
 H    4.371600       3.143300     -0.2066000    
 H   -4.373600       3.142900     -0.2020000    


%chk=000170234-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170234

0 1
O -0.000385 -1.900455 1.290467
N 1.177656 -1.740691 -0.726404
N -1.177587 -1.740592 -0.726871
N 5.092079 1.002274 -0.574353
N -5.089579 1.005011 -0.573980
C 2.494948 -1.788127 -0.070414
C -2.495157 -1.788165 -0.071407
C 3.181508 -0.430003 0.016775
C -3.180984 -0.429776 0.017439
C -0.000123 -1.797217 0.020158
C 2.596792 0.640808 0.741257
C -2.596735 0.639161 0.745069
C 4.426959 -0.191693 -0.614492
C -4.425233 -0.189345 -0.615393
C 3.267135 1.880364 0.797863
C -3.266308 1.879073 0.803033
C 4.506418 2.016934 0.126170
C -4.504363 2.017861 0.129532
H 3.144884 -2.505718 -0.605822
H 2.311053 -2.185850 0.943954
H -2.311924 -2.187386 0.942485
H -3.145231 -2.504638 -0.608130
H 1.146662 -1.585498 -1.734808
H -1.146181 -1.584827 -1.735175
H 1.640014 0.488912 1.254064
H -1.640957 0.485507 1.259220
H 4.923762 -0.991110 -1.180548
H -4.921682 -0.987299 -1.183817
H 2.848630 2.726160 1.352743
H -2.848161 2.723448 1.360340
H 5.056373 2.964851 0.144855
H -5.053684 2.966126 0.149192


