%chk=000154477.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154477

0 1
 O   -5.008800      -1.354000     -5.0000002E-04
 O   -3.382300      -2.828200     -3.0000001E-04
 O    4.093500      -2.443900      3.0000001E-04
 N   5.2800000E-02   2.351900       0.000000    
 N   -3.789700      -1.643300     -9.9999997E-05
 C  -0.5403000      0.2024000       0.000000    
 C   -1.032500       1.507700       0.000000    
 C   0.8884000      0.2845000       0.000000    
 C    1.227700       1.637700       0.000000    
 C   -1.461900     -0.8658000      1.9999999E-04
 C   -2.401100       1.800800      9.9999997E-05
 C   -2.833600     -0.5885000      3.9999999E-04
 C    1.926300     -0.6711000     -1.9999999E-04
 C   -3.294000      0.7259000      1.9999999E-04
 C    2.553700       2.085700       0.000000    
 C    3.257300     -0.2384000     -9.9999997E-05
 C   -1.009000      -2.295400      3.9999999E-04
 C   -2.928100       3.197300       0.000000    
 C    3.563900       1.120300     -9.9999997E-05
 C    4.331100      -1.219800     -9.9999997E-05
 C    5.786600     -0.7659000     -9.9999997E-05
 H   2.0999999E-03   3.360900      9.9999997E-05
 H    1.747500      -1.734800     -5.0000002E-04
 H   -4.358600      0.9539000      3.0000001E-04
 H    2.792700       3.144000      9.9999997E-05
 H   -1.321600      -2.814600      0.9135000    
 H   -1.320200      -2.814500     -0.9133000    
 H   6.1799999E-02  -2.419100      1.6000000E-03
 H   -3.544500       3.366100     -0.8893000    
 H   -3.542300       3.367000      0.8907000    
 H   -2.133300       3.948200     -1.5000000E-03
 H    4.588400       1.481300       0.000000    
 H    6.003300     -0.1887000      0.9025000    
 H    6.003300     -0.1883000     -0.9024000    
 H    6.435700      -1.647400     -3.0000001E-04


%chk=000154477-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154477

0 1
O -5.170213 -1.206976 0.000508
O -3.635757 -2.879219 -0.000704
O 4.152156 -2.478513 -0.000314
N 0.034793 2.361556 0.000165
N -3.940830 -1.621406 -0.000441
C -0.565283 0.130135 0.000117
C -1.056562 1.487661 0.000027
C 0.908322 0.227599 0.000166
C 1.228322 1.635022 0.000230
C -1.476857 -0.965524 0.000165
C -2.431633 1.827005 -0.000138
C -2.862111 -0.604499 -0.000154
C 1.984719 -0.684596 0.000014
C -3.318899 0.742889 -0.000278
C 2.550485 2.124833 0.000283
C 3.325337 -0.215542 0.000063
C -0.978054 -2.395419 0.000742
C -2.934713 3.259670 -0.000099
C 3.596210 1.185721 0.000218
C 4.423484 -1.240200 -0.000063
C 5.874921 -0.768479 -0.000313
H -0.031013 3.376901 0.000212
H 1.856550 -1.769393 -0.000198
H -4.399732 0.907696 -0.000508
H 2.758057 3.199920 0.000350
H -1.355601 -2.950508 0.876323
H -1.353235 -2.950415 -0.875932
H 0.116148 -2.435326 0.002239
H -3.561055 3.458642 -0.888353
H -3.557547 3.459881 0.890362
H -2.120825 4.005710 -0.002268
H 4.630780 1.542303 0.000262
H 6.094477 -0.152670 0.891861
H 6.094068 -0.152195 -0.892256
H 6.535393 -1.648362 -0.000687


