%chk=000079580.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079580

0 1
 O    3.857200       1.171600     -0.6499000    
 N   -3.626300     -0.3714000     -0.7927000    
 N   -1.079800       2.016700       2.026400    
 C  -0.8566000      6.4400002E-02  0.2524000    
 C   -1.788000      -1.101500      0.6883000    
 C   -1.354300      0.5599000      -1.134500    
 C   -3.282100     -0.7727000      0.5745000    
 C   -2.866300      0.8155000      -1.193400    
 C   0.6301000     -0.3336000      0.1712000    
 C   -5.063200     -0.1247000     -0.9088000    
 C  -0.9820000       1.161100       1.249000    
 C    1.579400      0.6113000     -0.2078000    
 C    1.015300      -1.635700      0.4778000    
 C    2.925100      0.2513000     -0.2806000    
 C    2.360800      -1.995800      0.4050000    
 C    3.315700      -1.052400      2.5900001E-02
 C    5.214800      0.7359000     -0.7028000    
 H   -1.577500      -1.406000       1.722500    
 H   -1.616500      -1.979400      4.9899999E-02
 H   -1.098400     -0.1878000      -1.899100    
 H  -0.8432000       1.485500      -1.430200    
 H   -3.845700      -1.674300      0.8457000    
 H   -3.557200      4.9000001E-03   1.298500    
 H   -3.125300       1.680100     -0.5684000    
 H   -3.120300       1.082900      -2.226800    
 H   -5.327600      0.1305000      -1.941000    
 H   -5.398400      0.6891000     -0.2555000    
 H   -5.630300      -1.027000     -0.6544000    
 H    1.293800       1.632300     -0.4469000    
 H   0.3227000      -2.407800      0.7912000    
 H    2.665300      -3.010200      0.6466000    
 H    4.342800      -1.399400     -9.1000004E-03
 H    5.357700     -4.4900000E-02  -1.457500    
 H    5.578300      0.4308000      0.2844000    
 H    5.818000       1.595100      -1.013900    


%chk=000079580-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079580

0 1
O 4.004904 1.146017 0.345523
N -3.724276 -0.517318 -0.409385
N -1.033897 2.755944 0.706157
C -0.845813 0.205684 -0.086389
C -1.639716 -0.677624 0.942784
C -1.558746 0.081433 -1.481383
C -3.144691 -0.351582 0.945586
C -3.066393 0.380091 -1.389810
C 0.630889 -0.245396 -0.180848
C -5.192657 -0.360456 -0.409589
C -0.934981 1.620190 0.353700
C 1.696925 0.624820 0.121566
C 0.921898 -1.577974 -0.588377
C 3.040157 0.181038 0.020413
C 2.257578 -2.010688 -0.685227
C 3.333142 -1.142530 -0.384214
C 5.413148 0.753115 0.258296
H -1.215905 -0.540703 1.954263
H -1.504120 -1.735430 0.656496
H -1.420412 -0.953462 -1.840680
H -1.076285 0.761991 -2.206271
H -3.662913 -1.045155 1.633958
H -3.304973 0.685886 1.338286
H -3.221804 1.459297 -1.129876
H -3.528971 0.213369 -2.380548
H -5.587509 -0.559935 -1.421992
H -5.528974 0.661688 -0.102093
H -5.644652 -1.092159 0.283857
H 1.518679 1.657401 0.438190
H 0.113416 -2.276065 -0.829660
H 2.472442 -3.038092 -0.999828
H 4.363265 -1.500573 -0.467222
H 5.686353 0.460593 -0.774451
H 5.643771 -0.078253 0.952837
H 5.979120 1.649139 0.551929


