%chk=000019513.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019513

1 1
 O  -0.7225000      -1.032200     -0.2446000    
 O    1.709800      0.3626000       2.006500    
 O  -0.3087000      -1.374100       1.996700    
 N   -3.876200     -0.6234000     -9.1100000E-02
 C   -2.881100      -1.431500      0.7804000    
 C   -1.818800      -1.936700     -0.1831000    
 C   -3.402100     -0.7882000      -1.545000    
 C   -2.526400      -2.026200      -1.520200    
 C    2.166900     -0.5121000     -0.1543000    
 C    1.108100      0.1497000      0.7256000    
 C    3.393400      0.3982000     -0.3038000    
 C    2.567700      -1.879500      0.4155000    
 C   -5.286000      -1.180500      6.8499997E-02
 C   -3.877000      0.8441000      0.3053000    
 C    4.488800     -0.2642000      -1.136300    
 C    3.664600      -2.538100     -0.4181000    
 C    4.878300      -1.626800     -0.5719000    
 C  -4.1999999E-02 -0.8364000      0.9287000    
 C   0.5913000       1.501200      0.2505000    
 C   0.2574000       2.454300       1.190100    
 C   0.4737000       1.730300      -1.104800    
 C  -0.2158000       3.692200      0.7550000    
 C   6.9999998E-04   2.968300      -1.539800    
 C  -0.3440000       3.949200     -0.6098000    
 H   -3.437600      -2.274400       1.205400    
 H   -2.551300     -0.7781000       1.590200    
 H   -1.434300      -2.919800      0.1128000    
 H   -2.815600      9.8499998E-02  -1.811400    
 H   -4.266700     -0.8716000      -2.210400    
 H   -3.150400      -2.926200      -1.563700    
 H   -1.834800      -2.036200      -2.368000    
 H    1.765700     -0.7088000      -1.157300    
 H    3.812700      0.6444000      0.6799000    
 H    3.138300       1.349200     -0.7812000    
 H    1.716400      -2.568300      0.4424000    
 H    2.943000      -1.790600       1.441300    
 H   -5.568900      -1.101100       1.122300    
 H   -5.963100     -0.5894000     -0.5553000    
 H   -5.286000      -2.226100     -0.2529000    
 H   -2.854900       1.225700      0.2251000    
 H   -4.542000       1.383500     -0.3753000    
 H   -4.233300      0.9235000       1.336500    
 H    5.370800      0.3856000      -1.169400    
 H    4.140400     -0.3823000      -2.169800    
 H    3.268500      -2.789100      -1.409800    
 H    3.969400      -3.480600      5.0999999E-02
 H    5.615100      -2.101600      -1.229500    
 H    5.360300      -1.493100      0.4044000    
 H    1.779500     -0.4855000       2.474400    
 H   0.3276000       2.278700       2.258800    
 H   0.7110000      0.9860000      -1.855800    
 H  -0.4891000       4.454500       1.478800    
 H  -0.1048000       3.166900      -2.602400    
 H  -0.7148000       4.912100     -0.9486000    


%chk=000019513-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019513

1 1
O -0.768079 -1.197588 -0.129860
O 1.687415 0.314714 2.155051
O -0.267121 -1.582347 2.106259
N -3.774501 -0.486974 -0.163405
C -3.047439 -1.450826 0.824944
C -1.933096 -2.115751 0.001681
C -3.231994 -0.858988 -1.585386
C -2.535209 -2.219260 -1.407678
C 2.219681 -0.562282 -0.117746
C 1.122402 0.043714 0.835128
C 3.389600 0.436045 -0.310505
C 2.744656 -1.921002 0.416489
C -5.282478 -0.699091 -0.087969
C -3.445049 0.971700 0.162151
C 4.478006 -0.153619 -1.239180
C 3.829749 -2.509790 -0.516915
C 4.995166 -1.514478 -0.719426
C -0.011153 -0.987739 1.034601
C 0.489425 1.359158 0.322936
C 0.156374 2.374680 1.253235
C 0.206962 1.566208 -1.052842
C -0.453815 3.574491 0.817781
C -0.396060 2.767847 -1.487755
C -0.734419 3.776425 -0.553276
H -3.773478 -2.207115 1.164241
H -2.682543 -0.883750 1.692340
H -1.608824 -3.069365 0.448095
H -2.505457 -0.080075 -1.862476
H -4.073612 -0.858316 -2.294082
H -3.246152 -3.062896 -1.456193
H -1.759090 -2.378395 -2.171719
H 1.741524 -0.748515 -1.102659
H 3.823104 0.664119 0.682015
H 3.017465 1.391478 -0.724908
H 1.917626 -2.652758 0.527709
H 3.182887 -1.768474 1.423236
H -5.615626 -0.549336 0.950850
H -5.783779 0.027537 -0.745581
H -5.521653 -1.723780 -0.412072
H -2.352613 1.104101 0.162876
H -3.895813 1.617152 -0.607524
H -3.861318 1.220287 1.150763
H 5.314627 0.564717 -1.327010
H 4.064035 -0.285788 -2.260789
H 3.377753 -2.749675 -1.501967
H 4.204956 -3.462292 -0.097423
H 5.737204 -1.935952 -1.423278
H 5.518997 -1.363079 0.246218
H 1.565360 -0.483167 2.734346
H 0.416935 2.225916 2.304471
H 0.476350 0.804503 -1.791829
H -0.686725 4.358503 1.546505
H -0.575954 2.929572 -2.556588
H -1.184011 4.715598 -0.893376


