%chk=000158625.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158625

0 1
 O   -2.152200     -0.4034000     -0.1082000    
 O   -4.156700      5.9099998E-02  0.9372000    
 N   0.3757000       1.438000     -0.1421000    
 N   0.7491000     -0.7511000      0.7554000    
 C   -1.451300      0.3467000      0.8635000    
 C   -1.728600       1.853800      0.7272000    
 C  -0.7217000       2.360900     -0.3188000    
 C   9.8000001E-03  0.2795000      0.4972000    
 C    1.679600       1.633800     -0.7261000    
 C    2.586500      0.4709000     -0.3818000    
 C    2.094500     -0.6519000      0.3260000    
 C    3.928600      0.5059000     -0.7840000    
 C    2.964600      -1.709800      0.6148000    
 C   -3.520600     -0.4742000      3.8600001E-02
 C    4.780600     -0.5567000     -0.4867000    
 C    4.299600      -1.662200      0.2115000    
 C   -4.114600      -1.306100      -1.073900    
 C   -5.622900      -1.433100     -0.9500000    
 H   -1.627300     -4.1499998E-02   1.871700    
 H   -1.514600       2.343100       1.686100    
 H   -2.749500       2.111400      0.4345000    
 H   -1.131400       2.274600      -1.330700    
 H  -0.4321000       3.398700     -0.1286000    
 H    2.116600       2.562600     -0.3431000    
 H    1.588600       1.707000      -1.815600    
 H    4.314900       1.361900      -1.331300    
 H    2.605500      -2.580900       1.157800    
 H    5.819800     -0.5231000     -0.8006000    
 H    4.964700      -2.489500      0.4416000    
 H   -3.866300     -0.8322000      -2.029300    
 H   -3.662300      -2.302800      -1.039200    
 H   -6.104500     -0.4503000     -0.9867000    
 H   -6.022700      -2.040900      -1.767500    
 H   -5.901000      -1.907000     -2.7999999E-03


%chk=000158625-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158625

0 1
O -2.283334 -0.061110 -0.304286
O -4.014883 -0.492467 1.204991
N 0.434162 1.589114 -0.116833
N 0.641251 -0.694253 0.671082
C -1.504679 0.609300 0.791330
C -1.703856 2.141001 0.729143
C -0.595853 2.636045 -0.241257
C -0.038926 0.412348 0.449956
C 1.745014 1.675018 -0.775678
C 2.599730 0.461031 -0.399718
C 2.013116 -0.657794 0.271680
C 3.967017 0.429513 -0.743722
C 2.822330 -1.783604 0.572546
C -3.524035 -0.610076 0.060470
C 4.766089 -0.697349 -0.440783
C 4.186775 -1.807320 0.219157
C -4.127680 -1.356721 -1.118274
C -5.598072 -1.748276 -0.887085
H -1.796447 0.155302 1.750115
H -1.547635 2.566554 1.735900
H -2.718196 2.407465 0.394995
H -0.961732 2.708324 -1.286984
H -0.188872 3.622664 0.049890
H 2.251195 2.615229 -0.470871
H 1.611597 1.731698 -1.881829
H 4.415822 1.290958 -1.255870
H 2.348046 -2.624326 1.088592
H 5.826167 -0.708183 -0.716402
H 4.797961 -2.684772 0.457949
H -4.004715 -0.735323 -2.024323
H -3.502617 -2.256012 -1.286330
H -6.235409 -0.854825 -0.768131
H -5.977295 -2.334684 -1.742386
H -5.703633 -2.353274 0.029066


