%chk=000027483.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027483

0 1
 O   -1.750600      0.8801000      0.2663000    
 O    4.364000      0.3606000     -0.9096000    
 O   -1.387200      -1.005800       1.535500    
 N   -5.313600     -1.7400000E-02 -5.5799998E-02
 C   -3.899000      3.7900001E-02 -0.3931000    
 C   -5.992900       1.213900     -0.4662000    
 C   -5.950700      -1.178600     -0.6818000    
 C    6.676600     -9.2000002E-03 -0.3069000    
 C   -3.135900      0.8675000      0.6271000    
 C    5.278100     -0.6192000     -0.4351000    
 C   -7.456000       1.196200     -5.7300001E-02
 C   -5.263300      -2.469700     -0.2712000    
 C    7.682600      -1.070700      0.1326000    
 C    6.683800       1.167700      0.6711000    
 C    3.063100      0.2448000     -0.4943000    
 C   0.4139000      8.8999998E-03  0.3473000    
 C  -0.9673000     -0.1144000      0.7854000    
 C    2.530900      -1.012900     -0.2109000    
 C    2.270900       1.384600     -0.3569000    
 C    1.206300      -1.130900      0.2100000    
 C   0.9463000       1.266600      6.3800000E-02
 H   -3.731800      0.4253000      -1.407500    
 H   -3.410300     -0.9390000     -0.3893000    
 H   -5.917900       1.379700      -1.548500    
 H   -5.535900       2.079800      2.4499999E-02
 H   -5.963800      -1.099800      -1.776200    
 H   -6.987300      -1.275000     -0.3429000    
 H    6.978900      0.3784000      -1.288100    
 H   -3.276300      0.4955000       1.649500    
 H   -3.458600       1.912800      0.6216000    
 H    4.988300      -1.003300      0.5524000    
 H    5.299500      -1.452200      -1.148000    
 H   -7.876600       2.202700     -0.1620000    
 H   -7.581700      0.8984000      0.9894000    
 H   -8.060700      0.5396000     -0.6902000    
 H   -5.934600      -3.314500     -0.4662000    
 H   -5.026300      -2.489600      0.7982000    
 H   -4.355000      -2.669600     -0.8477000    
 H    7.428100      -1.478200       1.117000    
 H    8.691700     -0.6492000      0.1917000    
 H    7.709100      -1.900500     -0.5814000    
 H    6.357700      0.8562000       1.669200    
 H    6.019400       1.969200      0.3321000    
 H    7.690300       1.590300      0.7610000    
 H    3.103300      -1.927500     -0.3345000    
 H    2.681700       2.366900     -0.5737000    
 H   0.8036000      -2.119000      0.4176000    
 H   0.3571000       2.173200      0.1734000    


%chk=000027483-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000027483

0 1
O -1.870686 0.778852 0.581083
O 4.473643 0.620539 -0.103418
O -1.620825 -1.543860 0.630016
N -5.477647 0.123410 -0.419516
C -4.019812 0.312364 -0.616989
C -6.322803 1.155732 -1.073056
C -5.933275 -1.272558 -0.645181
C 6.848629 0.138135 -0.332244
C -3.344920 0.591785 0.741564
C 5.454139 -0.484192 -0.166333
C -7.708261 1.314962 -0.415982
C -5.345761 -2.273411 0.369029
C 7.884817 -0.986603 -0.568884
C 7.224968 1.008963 0.887134
C 3.124596 0.301638 0.056202
C 0.340914 -0.119536 0.370988
C -1.108371 -0.396045 0.534872
C 2.619197 -1.021557 0.167972
C 2.237775 1.410694 0.102410
C 1.234356 -1.219086 0.323622
C 0.859796 1.200943 0.258655
H -3.817843 1.157779 -1.304126
H -3.556802 -0.588039 -1.067382
H -6.451442 0.954483 -2.168011
H -5.787430 2.120212 -0.990671
H -5.686930 -1.612071 -1.684705
H -7.034722 -1.287211 -0.558871
H 6.814359 0.785306 -1.231462
H -3.532525 -0.241893 1.437554
H -3.696760 1.540617 1.175462
H 5.400611 -1.079279 0.770023
H 5.208602 -1.140506 -1.026623
H -8.258426 2.152817 -0.883516
H -7.593489 1.522225 0.662438
H -8.329204 0.408132 -0.526364
H -5.723631 -3.291207 0.157249
H -5.643907 -1.997530 1.396492
H -4.242073 -2.309625 0.328153
H 7.927967 -1.674906 0.297291
H 8.893720 -0.557780 -0.704222
H 7.646616 -1.582979 -1.469734
H 7.304390 0.389063 1.801445
H 6.464747 1.788684 1.064338
H 8.200734 1.503175 0.728406
H 3.286762 -1.886797 0.135041
H 2.655948 2.417753 0.013452
H 0.821627 -2.229638 0.411486
H 0.170531 2.048646 0.296316


