%chk=000096848.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096848

0 1
 O   0.5755000     -1.2600000E-02 -2.0000001E-03
 O    6.753900       1.262400      1.6000000E-03
 N  -0.1796000      -2.118300     -6.9999998E-04
 N    1.202200      -2.160000     -9.9999997E-05
 C   -4.213400     -0.3769000      5.0000002E-04
 C   -4.303500       1.035400       0.000000    
 C   -1.786100     -0.2101000     -1.3000000E-03
 C   -2.947000     -0.9842000       0.000000    
 C   -3.124600       1.798900     -7.9999998E-04
 C   -1.874800       1.178800     -1.4000000E-03
 C  -0.4927000     -0.8497000     -1.6000000E-03
 C   -5.392200      -1.140300      1.6000000E-03
 C   -5.569600       1.642900      6.0000003E-04
 C    2.921000     -0.3526000     -8.9999998E-04
 C    1.599700     -0.9091000     -1.1000000E-03
 C   -6.641900     -0.5200000      1.9000000E-03
 C   -6.730500      0.8690000      1.4000000E-03
 C    3.102600       1.034600     -1.5000000E-03
 C    4.040700      -1.191800      3.9999999E-04
 C    5.499900      0.7338000      3.9999999E-04
 C    4.388000       1.576300     -1.0000000E-03
 C    5.326200     -0.6503000      8.9999998E-04
 C    7.846000      0.3440000      3.0000000E-03
 H   -2.877600      -2.071300      3.9999999E-04
 H   -3.170700       2.886000     -1.0000000E-03
 H  -0.9934000       1.815100     -2.0000001E-03
 H   -5.347300      -2.227400      2.0000001E-03
 H   -5.662700       2.726900      3.9999999E-04
 H   -7.546000      -1.122000      2.7000001E-03
 H   -7.703800       1.351200      1.8000000E-03
 H    2.261600       1.723700     -2.4999999E-03
 H    3.928800      -2.273800      8.9999998E-04
 H    4.517600       2.655100     -1.4000000E-03
 H    6.145100      -1.361500      2.0000001E-03
 H    8.766700      0.9366000      3.5999999E-03
 H    7.859400     -0.2666000     -0.9063000    
 H    7.857700     -0.2659000      0.9127000    


%chk=000096848-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000096848

0 1
O 0.576191 0.152992 0.000356
O 6.990267 1.177414 0.000401
N -0.217164 -1.987598 0.001268
N 1.213857 -2.039925 0.001143
C -4.342862 -0.385582 0.000380
C -4.509022 1.055912 -0.000302
C -1.896595 -0.099930 0.000324
C -3.025801 -0.936502 0.000681
C -3.337877 1.885315 -0.000642
C -2.061940 1.329327 -0.000338
C -0.566078 -0.692377 0.000628
C -5.511154 -1.220397 0.000733
C -5.832930 1.603325 -0.000606
C 3.022814 -0.280779 0.000729
C 1.655137 -0.771254 0.000833
C -6.788706 -0.657608 0.000422
C -6.951290 0.765528 -0.000253
C 3.314212 1.113725 0.000404
C 4.095644 -1.211757 0.000938
C 5.708013 0.622721 0.000528
C 4.642656 1.561301 0.000308
C 5.431266 -0.770613 0.000843
C 8.135778 0.261736 0.000519
H -2.885397 -2.023074 0.001191
H -3.461011 2.974642 -0.001150
H -1.173186 1.967211 -0.000601
H -5.383421 -2.309219 0.001248
H -5.956623 2.692855 -0.001117
H -7.674237 -1.302238 0.000695
H -7.959712 1.193453 -0.000489
H 2.493311 1.837197 0.000239
H 3.865409 -2.281920 0.001183
H 4.885038 2.627854 0.000064
H 6.239764 -1.506922 0.001008
H 9.021428 0.912906 0.000322
H 8.139648 -0.375903 -0.904418
H 8.139771 -0.375516 0.905729


