%chk=000083687.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083687

0 1
 O    2.364700      7.6099999E-02 -0.6718000    
 O   -1.102500      -2.682900      -1.265700    
 O    1.678300     -5.1600002E-02   1.516300    
 O   -2.561500      -2.793000      0.4595000    
 O   -3.589500       2.156200       1.011300    
 N   0.2973000     -0.6908000     -0.2354000    
 N   -4.130700       2.227400      -1.224900    
 C    3.629700      0.5889000     -0.2388000    
 C  -0.8537000      -1.084900      0.5374000    
 C   -1.793500      0.1008000      0.7866000    
 C   -2.506000      0.6029000     -0.4725000    
 C    4.289200     -0.4475000      0.6699000    
 C    4.479500      0.8294000      -1.484700    
 C    3.392800       1.898900      0.5112000    
 C    1.466300     -0.2074000      0.3182000    
 C   -1.603800      -2.252400     -8.3499998E-02
 C   -3.456600       1.729900     -0.1332000    
 H  -0.4792000      -1.444900       1.504100    
 H   -1.230800      0.9257000       1.243200    
 H   -2.549600     -0.2017000       1.523600    
 H   -1.778700      0.9716000      -1.204400    
 H   -3.089000     -0.1973000     -0.9413000    
 H    4.200300      -1.454600      0.2462000    
 H    5.356900     -0.2271000      0.7886000    
 H    3.884300     -0.4871000       1.684200    
 H    3.985100       1.535800      -2.161500    
 H    4.611300     -0.1003000      -2.050100    
 H    5.469000       1.225300      -1.233700    
 H    3.001800       1.779200       1.524600    
 H    4.333100       2.452400      0.6206000    
 H    2.688100       2.539200     -3.2200001E-02
 H   0.2465000     -0.7602000      -1.247500    
 H   -1.603200      -3.448800      -1.619300    
 H   -4.793800       2.988900      -1.127100    
 H   -3.995400       1.856500      -2.159900    


%chk=000083687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083687

0 1
O 2.374128 -0.008716 -0.589967
O -1.196436 -2.626654 -1.485450
O 1.415337 -0.010760 1.588926
O -2.630113 -2.957586 0.311714
O -2.685460 2.776908 0.631476
N 0.285886 -0.825901 -0.288066
N -4.267019 2.226368 -0.970851
C 3.688408 0.632369 -0.155761
C -0.899124 -1.210872 0.480999
C -1.867322 -0.017954 0.762792
C -2.450615 0.610815 -0.518137
C 4.399956 -0.293527 0.851008
C 4.453408 0.713914 -1.487890
C 3.407248 2.033035 0.423627
C 1.370080 -0.254353 0.351891
C -1.663851 -2.347197 -0.188249
C -3.132723 1.954369 -0.220043
H -0.566439 -1.580390 1.470971
H -1.302747 0.751365 1.316792
H -2.679240 -0.378142 1.420323
H -1.622401 0.816271 -1.226547
H -3.153734 -0.080445 -1.022136
H 4.525076 -1.304584 0.423956
H 5.403307 0.111593 1.077539
H 3.828194 -0.367092 1.789298
H 3.901434 1.334039 -2.215098
H 4.591191 -0.292611 -1.919383
H 5.447729 1.165764 -1.322448
H 2.828891 1.964640 1.358161
H 4.365763 2.541669 0.635420
H 2.844904 2.646196 -0.302719
H 0.359334 -1.081983 -1.273172
H -1.729850 -3.369227 -1.877964
H -4.737438 3.121102 -0.833624
H -4.649059 1.560175 -1.639390


