%chk=000003895.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003895

0 1
 O   -2.665800     -0.8572000       1.816500    
 O    2.720900       1.287200      -1.103900    
 O   -1.049200       4.322100       1.401200    
 O   -1.144600       3.074600      -2.492800    
 O   -2.360500       4.312200      -1.024400    
 N   0.3334000     -0.9062000      9.7199999E-02
 C  -0.2546000      -2.018800      0.8162000    
 C    1.276600      -1.174500     -0.9702000    
 C  -1.8100001E-02  0.4204000      0.4229000    
 C   -1.614100      -2.374100      0.2872000    
 C    2.699200      -1.035300     -0.5110000    
 C  -0.6021000       1.243300     -0.5402000    
 C   0.2166000      0.9088000       1.708000    
 C   -2.753700      -1.775400      0.8136000    
 C    3.351900      0.1895000     -0.6004000    
 C   -1.715100      -3.310500     -0.7362000    
 C    3.352700      -2.149600      4.4000000E-03
 C  -0.9515000       2.554700     -0.2181000    
 C  -0.1329000       2.220100       2.030400    
 C  -0.7169000       3.043200       1.067400    
 C   -4.009000      -2.117000      0.3106000    
 C    4.673800      0.3013000     -0.1691000    
 C   -2.970600      -3.652000      -1.239100    
 C    4.674700      -2.037700      0.4354000    
 C   -4.117400      -3.055400     -0.7157000    
 C    5.335200     -0.8123000      0.3486000    
 C   -1.558900       3.398400      -1.238100    
 H  -0.3048000      -1.820600       1.894500    
 H   0.3944000      -2.902500      0.7487000    
 H    1.093300     -0.5339000      -1.842400    
 H    1.129900      -2.189400      -1.363800    
 H  -0.8036000      0.8426000      -1.531000    
 H   0.6806000      0.2852000       2.467600    
 H  -0.8307000      -3.784500      -1.152700    
 H    2.851200      -3.110600      7.7100001E-02
 H   5.8300000E-02   2.588000       3.034900    
 H   -4.911000      -1.659900      0.7087000    
 H    5.200500       1.249800     -0.2307000    
 H   -3.055100      -4.382800      -2.038100    
 H    5.189800      -2.904700      0.8385000    
 H   -5.094900      -3.321400      -1.107500    
 H    6.364400     -0.7253000      0.6843000    
 H   -3.559600     -0.5494000       2.044600    
 H    3.331700       2.043600      -1.079900    
 H  -0.8122000       4.479600       2.331200    
 H   -1.558200       3.647600      -3.173200    


%chk=000003895-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003895

0 1
O -3.038032 -1.088804 1.107107
O 2.728457 1.021329 -0.184559
O -1.721899 5.192645 1.397695
O 0.902216 4.222900 -1.886185
O -0.184021 5.941202 -0.779838
N -0.092689 -0.151945 0.227742
C -0.173355 -1.240597 1.224107
C 0.491072 -0.535266 -1.072798
C -0.493027 1.172979 0.517820
C -1.054695 -2.426922 0.824028
C 1.922479 -1.079480 -1.028469
C -0.049550 2.280866 -0.254458
C -1.374094 1.467042 1.605280
C -2.470546 -2.326673 0.752245
C 3.020184 -0.291827 -0.585106
C -0.475887 -3.682984 0.523848
C 2.201180 -2.393681 -1.472284
C -0.455456 3.617814 0.007930
C -1.758533 2.786121 1.895692
C -1.320526 3.878440 1.111133
C -3.270907 -3.427799 0.369010
C 4.337886 -0.806526 -0.568838
C -1.259107 -4.798933 0.147893
C 3.512832 -2.922677 -1.473977
C -2.662403 -4.665262 0.062821
C 4.583204 -2.124349 -1.013640
C 0.049552 4.711854 -0.856352
H -0.517326 -0.817568 2.180181
H 0.849669 -1.633327 1.400304
H 0.440202 0.332555 -1.748758
H -0.144021 -1.324672 -1.525794
H 0.668070 2.146030 -1.062151
H -1.808184 0.660020 2.197651
H 0.614388 -3.782331 0.591237
H 1.366171 -3.008793 -1.830295
H -2.437389 2.966839 2.740582
H -4.363345 -3.324853 0.321407
H 5.169201 -0.178637 -0.221384
H -0.780156 -5.757689 -0.075702
H 3.695659 -3.942032 -1.829132
H -3.285197 -5.516924 -0.231681
H 5.605400 -2.518080 -1.002982
H -4.015883 -1.089347 0.958111
H 3.545112 1.509415 0.086281
H -2.320634 5.190616 2.187520
H 1.187930 5.010513 -2.422044


