%chk=000176802.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176802

0 1
 O    4.034200     -0.2300000      0.3107000    
 O   -4.225200      0.7899000     -4.0399998E-02
 N   -1.472900      0.2619000     -0.1819000    
 N   -3.483900      0.5411000       1.101100    
 C   0.4976000      -1.136900      7.2700001E-02
 C  -8.5199997E-02  0.1236000     -5.7799999E-02
 C    2.683500     -0.1145000      0.1885000    
 C    1.881900      -1.255900      0.1959000    
 C   0.7164000       1.265100     -6.4999998E-02
 C    2.100800       1.146100      5.8200002E-02
 C  -0.3403000      -2.373300      8.4299996E-02
 C    4.831300      0.7683000     -0.3244000    
 C    6.160200      0.1605000     -0.7198000    
 C   -2.136000      0.3932000      0.9253000    
 C   -5.158300     -0.2772000     -0.1552000    
 C   -6.004000     -6.1799999E-02  -1.392100    
 H    2.346400      -2.233600      0.2998000    
 H   0.2717000       2.252400     -0.1606000    
 H    2.685400       2.061000      7.6099999E-02
 H   0.2728000      -3.280000      3.8400002E-02
 H  -0.9357000      -2.421300       1.001800    
 H   -1.009500      -2.396200     -0.7823000    
 H    4.358500       1.147500      -1.239100    
 H    4.995700       1.596000      0.3742000    
 H    6.802700      0.9028000      -1.201600    
 H    6.678600     -0.2377000      0.1588000    
 H    6.011400     -0.6781000      -1.408000    
 H   -1.619400      0.3794000       1.902500    
 H   -4.625800      -1.232500     -0.2384000    
 H   -5.805700     -0.3047000      0.7297000    
 H   -3.928700      0.7076000       1.997300    
 H   -6.734700     -0.8667000      -1.511400    
 H   -6.536700      0.8931000      -1.333700    
 H   -5.374500     -2.0700000E-02  -2.287100    


%chk=000176802-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176802

0 1
O 3.922426 -0.466111 -0.399313
O -4.455430 0.965097 0.046782
N -1.665845 0.277231 0.174009
N -3.578505 1.287025 1.152251
C 0.284891 -1.139435 -0.247282
C -0.253864 0.151764 0.073058
C 2.555018 -0.178925 -0.227447
C 1.678633 -1.281924 -0.386148
C 0.633031 1.253103 0.207372
C 2.029691 1.102342 0.062953
C -0.642038 -2.326165 -0.418072
C 4.877032 0.645101 -0.245277
C 6.272863 0.063302 -0.456674
C -2.206389 1.093429 1.037169
C -4.796621 -0.493781 0.068520
C -5.753494 -0.700790 -1.102953
H 2.114717 -2.257770 -0.624665
H 0.221502 2.254766 0.382429
H 2.679341 1.977357 0.158697
H -0.095414 -3.211209 -0.786523
H -1.130034 -2.594642 0.538206
H -1.455203 -2.081830 -1.125280
H 4.653474 1.433643 -0.994240
H 4.774846 1.085448 0.768806
H 7.036202 0.856193 -0.353818
H 6.482001 -0.724180 0.287431
H 6.360489 -0.379721 -1.463437
H -1.650557 1.644467 1.824945
H -3.858226 -1.063978 -0.050199
H -5.264760 -0.735416 1.042781
H -3.935009 2.093837 1.670006
H -6.050039 -1.763946 -1.158339
H -6.665541 -0.089989 -0.985172
H -5.266588 -0.425893 -2.054072


