%chk=000069299.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069299

0 1
 O  -0.3808000      -1.496000     -0.2347000    
 N    1.881200     -0.8289000       1.132400    
 N   -1.496200      0.3039000      0.7876000    
 N   0.7205000     -0.1233000       1.262200    
 C    2.947700     -0.2732000      0.4156000    
 C   -2.784400      0.2330000      0.2566000    
 C    4.028300      -1.071800      2.2100000E-02
 C    2.945100       1.086800      8.3300002E-02
 C   -3.750600       1.161600      0.6434000    
 C   -3.105900     -0.7663000     -0.6619000    
 C  -0.3916000     -0.5312000      0.5266000    
 C    5.090700     -0.5185000     -0.6928000    
 C    4.007300       1.640100     -0.6318000    
 C   -5.038300       1.091100      0.1117000    
 C   -4.393400     -0.8368000      -1.193800    
 C    5.080000      0.8374000      -1.019700    
 C   -5.359600      9.2000000E-02 -0.8069000    
 H    1.863200      -1.816900       1.350000    
 H   -1.332400       1.058800       1.449300    
 H    4.049600      -2.130300      0.2699000    
 H    2.132400       1.748200      0.3717000    
 H   -3.514000       1.945700       1.358200    
 H   -2.413800      -1.519700      -1.010400    
 H   0.7143000      0.6290000       1.941700    
 H    5.926100      -1.143400     -0.9950000    
 H    4.000300       2.696100     -0.8855000    
 H   -5.790600       1.814300      0.4128000    
 H   -4.645100      -1.614200      -1.909400    
 H    5.907300       1.268400      -1.576100    
 H   -6.362100      3.7099998E-02  -1.221000    


%chk=000069299-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069299

0 1
O -0.250227 -1.375721 -0.300453
N 1.956200 -0.811850 1.307471
N -1.464944 0.336860 0.805425
N 0.727854 -0.160544 1.447092
C 2.957424 -0.250331 0.463381
C -2.760759 0.220501 0.224367
C 4.070006 -1.058548 0.105229
C 2.903037 1.098170 0.028336
C -3.753970 1.138642 0.661743
C -3.086543 -0.755034 -0.755256
C -0.343360 -0.465933 0.569860
C 5.108977 -0.520210 -0.680175
C 3.951615 1.624570 -0.756949
C -5.057802 1.083358 0.129308
C -4.398742 -0.798791 -1.274000
C 5.060983 0.825575 -1.116589
C -5.390802 0.111305 -0.842584
H 1.880769 -1.834523 1.291265
H -1.345024 1.125791 1.445056
H 4.116044 -2.102995 0.438434
H 2.041002 1.718195 0.292610
H -3.506280 1.894311 1.419366
H -2.317031 -1.448904 -1.098293
H 0.570622 0.316593 2.337702
H 5.958805 -1.155683 -0.954385
H 3.896631 2.666520 -1.093093
H -5.812249 1.798626 0.475204
H -4.643175 -1.553598 -2.029918
H 5.869726 1.239717 -1.727506
H -6.403587 0.066932 -1.256549


