%chk=000113792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113792

2 1
 O   0.5412000      8.6400002E-02  -1.418600    
 O   -5.680000      0.3677000     -0.1202000    
 O  -7.0200004E-02  -1.667400     -4.4900000E-02
 N   -2.084400      0.9547000      0.1094000    
 N    3.993500      4.6999999E-03 -7.2400004E-02
 C   -1.729400     -0.1582000     -0.9172000    
 C   -3.763000      -1.028000      0.3321000    
 C   -2.041100      0.3844000       1.536800    
 C   -2.779400      -1.284500     -0.8121000    
 C   -3.528600       1.441500     -0.1755000    
 C   -3.006500     -0.8017000       1.641300    
 C   -4.463300      0.2711000      6.0000003E-04
 C   -1.135500       2.137400     -1.1100000E-02
 C  -0.3418000     -0.6876000     -0.7256000    
 C    2.561600      0.3903000     -0.1438000    
 C    1.913200     -0.3093000      -1.322200    
 C    4.692000      0.7190000       1.092400    
 C    4.140400      -1.508400      0.1383000    
 C    4.723700      0.3792000      -1.369300    
 C    4.629700       2.214300      0.8693000    
 C    3.428000      -1.905500       1.412800    
 H   -1.802100      0.2965000      -1.914300    
 H   -4.492800      -1.838000      0.4211000    
 H   -1.010000      9.4899997E-02   1.764700    
 H   -2.331800       1.192000       2.218900    
 H   -3.333700      -1.330000      -1.759600    
 H   -2.323300      -2.273700     -0.6913000    
 H   -3.764800       2.227900      0.5472000    
 H   -3.558100       1.810100      -1.204600    
 H   -3.712700     -0.6165000       2.460300    
 H   -2.448000      -1.705400       1.913400    
 H  -0.1434000       1.836900      0.3331000    
 H   -1.113100       2.460300      -1.055600    
 H   -1.510700       2.943400      0.6269000    
 H    2.482500       1.466900     -0.3286000    
 H    2.052700      0.2093000      0.8076000    
 H    1.963500      -1.400100      -1.290000    
 H    2.357500     -1.7000000E-03  -2.273100    
 H    5.726400      0.3627000       1.147100    
 H    4.168500      0.4904000       2.023500    
 H    3.773900      -2.050800     -0.7367000    
 H    5.213600      -1.719000      0.2225000    
 H    4.393800       1.365300      -1.707500    
 H    5.801600      0.3687000      -1.178700    
 H    4.499600     -0.3694000      -2.135400    
 H    3.616600       2.620800      0.9211000    
 H    5.106100       2.547000     -5.5700000E-02
 H    5.182000       2.705000       1.680400    
 H    2.349900      -1.735600       1.393100    
 H    3.850200      -1.467600       2.319200    
 H    3.546400      -2.989300       1.538900    


%chk=000113792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113792

2 1
O 0.560862 0.002855 -0.924024
O -5.342807 1.098853 -1.659536
O -0.024703 -0.542142 1.271528
N -2.631815 0.839314 0.842447
N 4.363917 -0.140882 -0.296703
C -1.687815 0.432479 -0.321513
C -3.899513 -0.749792 -0.846141
C -3.170745 -0.421957 1.578871
C -2.388195 -0.666554 -1.204606
C -3.828945 1.565951 0.191682
C -4.041292 -1.274806 0.612707
C -4.469149 0.662775 -0.889274
C -1.955842 1.783921 1.836130
C -0.320419 -0.071710 0.152926
C 2.915214 0.372267 -0.348367
C 1.880384 -0.687323 -0.779533
C 5.283750 0.999494 0.256186
C 4.502937 -1.386084 0.639040
C 4.847345 -0.550375 -1.690553
C 5.398223 2.245714 -0.627499
C 3.992308 -1.200341 2.071374
H -1.532157 1.352070 -0.912736
H -4.431539 -1.398209 -1.559046
H -2.286885 -0.957664 1.956467
H -3.747866 -0.045018 2.438805
H -2.239139 -0.413335 -2.266124
H -1.932369 -1.657781 -1.032560
H -4.564397 1.790174 0.984821
H -3.483801 2.519419 -0.244738
H -5.099546 -1.257318 0.921553
H -3.713248 -2.327399 0.649338
H -1.201026 1.229399 2.410281
H -1.492297 2.617174 1.283949
H -2.724932 2.179760 2.516833
H 2.895287 1.212818 -1.060228
H 2.671801 0.752180 0.656749
H 1.773770 -1.500716 -0.042398
H 2.072020 -1.091085 -1.784830
H 6.272660 0.528425 0.394596
H 4.882479 1.258093 1.249420
H 3.970994 -2.210688 0.133794
H 5.578786 -1.632914 0.631934
H 4.629922 0.250522 -2.410997
H 5.933171 -0.725607 -1.649477
H 4.346200 -1.479824 -1.998373
H 4.443365 2.780763 -0.763545
H 5.845866 2.041771 -1.613561
H 6.078985 2.947827 -0.113957
H 2.910500 -0.987442 2.127859
H 4.544743 -0.431597 2.635354
H 4.155355 -2.154358 2.603676


