%chk=000046008.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046008

1 1
 O  -8.5400000E-02  0.1909000      0.9512000    
 O   -1.325900       1.176900     -0.7323000    
 O   -4.606500     -0.9852000      0.4929000    
 N    2.310700      -2.024300     -0.2988000    
 N   -2.345300     -0.3840000      0.7085000    
 N   -3.732900      0.5461000     -0.9779000    
 C    1.621500     -0.9357000      -1.043700    
 C    1.815400      -2.085100       1.151200    
 C    2.041600      -3.383300     -0.9560000    
 C    3.826100      -1.791400     -0.2795000    
 C    1.844000      0.4176000     -0.4532000    
 C    1.008600      0.9411000      0.5077000    
 C    2.930100       1.179400     -0.8840000    
 C    1.202800       2.187800       1.060600    
 C    3.152400       2.445500     -0.3426000    
 C    2.288800       2.949800      0.6297000    
 C   -1.262700      0.4007000      0.2192000    
 C   -2.081600      -1.255400       1.856300    
 C   -3.639400     -0.3239000      0.1033000    
 C   -4.962300      0.7325000      -1.712700    
 H   0.5555000      -1.186000      -1.097300    
 H    1.984400     -0.9604000      -2.080400    
 H   0.7343000      -2.222300       1.140100    
 H    2.284200      -2.953900       1.625800    
 H    2.123500      -1.188300       1.692300    
 H    2.557500      -4.158900     -0.3824000    
 H   0.9615000      -3.557100     -0.9510000    
 H    2.420900      -3.347300      -1.981300    
 H    4.299100      -2.682400      0.1463000    
 H    4.169200      -1.644800      -1.307700    
 H    4.060400     -0.9326000      0.3539000    
 H    3.607200      0.8082000      -1.648600    
 H   0.5312000       2.579900       1.817800    
 H    3.996600       3.039800     -0.6798000    
 H    2.461700       3.935800       1.051100    
 H   -1.561900     -0.7012000       2.643100    
 H   -1.460500      -2.089400       1.521800    
 H   -3.016000      -1.653900       2.259700    
 H   -2.951000       1.123300      -1.255600    
 H   -4.737700       1.255000      -2.645300    
 H   -5.645700       1.330900      -1.104600    
 H   -5.418200     -0.2379000      -1.926100    


%chk=000046008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046008

1 1
O -0.090818 0.255916 1.034073
O -1.112110 0.625508 -1.052894
O -4.644804 -0.714326 0.856377
N 2.325148 -2.059483 -0.512140
N -2.362419 -0.107278 0.827103
N -3.757848 0.120489 -1.139702
C 1.710454 -0.741809 -1.121276
C 1.846895 -2.270173 0.921823
C 1.858761 -3.227359 -1.377995
C 3.848502 -1.997079 -0.526760
C 1.981289 0.513114 -0.329547
C 1.075874 0.998575 0.652355
C 3.128291 1.303579 -0.611902
C 1.316444 2.193826 1.355372
C 3.383275 2.503847 0.082707
C 2.477554 2.946246 1.074340
C -1.232676 0.296143 0.160999
C -2.326382 -0.410916 2.283443
C -3.693242 -0.259281 0.170263
C -5.021211 0.039359 -1.890485
H 0.631550 -0.933784 -1.222867
H 2.147538 -0.670771 -2.131817
H 0.748279 -2.251462 0.943323
H 2.223914 -3.241275 1.278859
H 2.233299 -1.457824 1.553138
H 2.314242 -4.158458 -1.007134
H 0.762133 -3.301120 -1.322906
H 2.167140 -3.050853 -2.419902
H 4.247087 -2.927536 -0.093712
H 4.195630 -1.891039 -1.566118
H 4.178383 -1.134484 0.069253
H 3.815251 0.987647 -1.406626
H 0.593671 2.525578 2.106470
H 4.270587 3.097396 -0.156342
H 2.664076 3.878741 1.615743
H -2.000534 0.473963 2.852195
H -1.642102 -1.248429 2.494165
H -3.349926 -0.690500 2.571456
H -2.911771 0.493241 -1.589071
H -4.888995 -0.565305 -2.804882
H -5.371296 1.047761 -2.174581
H -5.782931 -0.433887 -1.253098


