%chk=000089037.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089037

0 1
 O  -0.3277000      -1.102000       1.805400    
 O   -1.543800       2.865600     -0.6272000    
 O  -0.3246000       1.750400      0.9338000    
 N   0.1974000      -1.309800     -0.4436000    
 C    1.556000      -1.766000     -0.2571000    
 C    2.517900     -0.6017000     -0.1586000    
 C    1.946100      -2.755000      -1.353600    
 C  -0.6654000      -1.004100      0.6138000    
 C   -2.014400     -0.5799000      0.2623000    
 C    3.614000     -0.7000000      0.6807000    
 C    2.280000      0.5363000     -0.9095000    
 C   -2.320400      0.7651000      5.6200001E-02
 C    4.500300      0.3733000      0.7719000    
 C    3.166300       1.609600     -0.8186000    
 C   -3.008700      -1.549400      0.1320000    
 C    4.276400       1.528100      2.2200000E-02
 C   -3.620900       1.140800     -0.2803000    
 C   -4.309300      -1.173700     -0.2043000    
 C   -4.615400      0.1714000     -0.4105000    
 C   -1.303800       1.801100      0.1849000    
 H    1.575900      -2.306400      0.6986000    
 H  -0.1368000      -1.175600      -1.394300    
 H    2.955500      -3.148300      -1.191500    
 H    1.250800      -3.601200      -1.378400    
 H    1.926500      -2.282900      -2.342800    
 H    3.798000      -1.595600       1.266900    
 H    1.433800      0.6213000      -1.584400    
 H    5.365000      0.3096000       1.426000    
 H    2.994000       2.507600      -1.404700    
 H   -2.782900      -2.601000      0.2902000    
 H    4.966900       2.363400      9.2399999E-02
 H   -3.895100       2.181200     -0.4343000    
 H   -5.083800      -1.928400     -0.3049000    
 H   -5.628900      0.4638000     -0.6694000    
 H  -0.8540000       3.557100     -0.5357000    


%chk=000089037-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089037

0 1
O -0.263905 -1.949544 1.266773
O -2.244881 2.692870 -1.471815
O -0.727766 1.090458 -2.094137
N 0.255297 -1.055098 -0.808374
C 1.633430 -1.593924 -0.791566
C 2.624185 -0.611162 -0.148307
C 2.050433 -1.967080 -2.232421
C -0.590165 -1.241650 0.254304
C -2.008004 -0.652398 0.199795
C 3.425183 -1.019679 0.944677
C 2.768484 0.708903 -0.648229
C -2.507062 0.528032 -0.458436
C 4.363817 -0.133730 1.522424
C 3.702873 1.596796 -0.072260
C -2.913732 -1.374209 1.023927
C 4.507331 1.177066 1.013920
C -3.861871 0.927126 -0.247454
C -4.257352 -0.990619 1.190633
C -4.737370 0.175198 0.553037
C -1.728730 1.397440 -1.385545
H 1.602133 -2.505173 -0.167766
H -0.019904 -0.402770 -1.561478
H 3.066038 -2.399104 -2.232600
H 1.350768 -2.707730 -2.658788
H 2.064477 -1.078653 -2.891086
H 3.301288 -2.029319 1.354116
H 2.140923 1.049617 -1.481643
H 4.973801 -0.462744 2.371450
H 3.804232 2.614864 -0.466004
H -2.505977 -2.238614 1.556143
H 5.231845 1.866511 1.462120
H -4.212329 1.840830 -0.733215
H -4.919807 -1.589890 1.824381
H -5.775151 0.498666 0.683041
H -1.707634 3.203412 -2.136018


