%chk=000138604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000138604

0 1
 O    2.539900       2.584000     -0.3776000    
 O    2.566600      -2.743600     -0.3263000    
 O   -5.095400     -0.4803000     -0.4312000    
 N    1.498400     -0.7649000     -0.8214000    
 N    3.525500      0.5989000      0.2383000    
 C    1.179400      0.5989000     -0.4287000    
 C   0.2907000      0.6583000      0.8045000    
 C    2.474500       1.365000     -0.2283000    
 C   -1.147600      0.3547000      0.4746000    
 C    3.347500     -0.7443000      0.7460000    
 C    2.474600      -1.524000     -0.2048000    
 C   -2.000800       1.390500      0.1226000    
 C   -1.596700     -0.9569000      0.5273000    
 C   -3.332300       1.108600     -0.1830000    
 C   -2.928100      -1.238700      0.2215000    
 C   -3.796000     -0.2060000     -0.1335000    
 H   0.6815000       1.049800      -1.296500    
 H   0.3412000       1.657000       1.259500    
 H   0.6351000     -2.6799999E-02   1.589300    
 H   0.8615000      -1.238400      -1.455000    
 H    2.885200     -0.6986000       1.735200    
 H    4.333500      -1.211900      0.8120000    
 H    4.406700       1.067700      0.4246000    
 H   -1.648900       2.417300      7.8800000E-02
 H  -0.9299000      -1.768700      0.8039000    
 H   -4.003400       1.917300     -0.4595000    
 H   -3.277000      -2.267000      0.2640000    
 H   -5.242600      -1.438000     -0.3460000    


%chk=000138604-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000138604

0 1
O 2.578945 2.417555 1.073491
O 2.424212 -2.819425 -0.567796
O -5.048651 -0.718256 -0.944471
N 1.309930 -0.834179 -0.086971
N 3.686181 0.491023 0.411083
C 1.223404 0.627420 0.097022
C 0.075859 0.983485 1.090338
C 2.548574 1.252908 0.573212
C -1.284626 0.526311 0.587923
C 3.773147 -0.814475 -0.262258
C 2.444844 -1.578648 -0.314571
C -1.973349 1.260746 -0.416447
C -1.892962 -0.654613 1.083089
C -3.219068 0.835178 -0.913775
C -3.143934 -1.097670 0.596105
C -3.803871 -0.350032 -0.407143
H 0.984270 1.113757 -0.874970
H 0.111734 2.077930 1.229674
H 0.309072 0.520530 2.066718
H 0.417616 -1.338357 -0.147236
H 4.491533 -1.464457 0.266168
H 4.137198 -0.708903 -1.305349
H 4.555178 0.936810 0.720381
H -1.533569 2.188082 -0.804300
H -1.395272 -1.228883 1.874232
H -3.754309 1.402135 -1.681057
H -3.597645 -2.012745 0.998368
H -5.381341 -1.553326 -0.531157


