%chk=000004261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004261

0 1
 O    4.175200     -0.5800000      0.2858000    
 O   -4.314200      -1.549500      -1.509900    
 O    2.848600      -1.135900       2.076300    
 N    2.673100      -2.229400      3.7799999E-02
 N   -3.927000      0.1645000      4.5000002E-02
 N   -4.280300       2.460600       1.682600    
 N    6.416100       2.903100      -1.267300    
 C   0.2576000      -2.583900      0.1061000    
 C    1.618300      -3.153100      0.3867000    
 C   -2.262600      -1.532500     -0.4136000    
 C  -0.4027000      -1.861400       1.092900    
 C  -0.3287000      -2.786400      -1.137700    
 C   -1.667400      -1.333800      0.8322000    
 C   -1.593400      -2.258700      -1.398500    
 C   -3.580500     -0.9806000     -0.6856000    
 C   -5.137400      0.8994000      1.0800000E-02
 C   -5.301500       2.016800      0.8130000    
 C   -6.142500      0.4700000     -0.8412000    
 C    3.197300      -1.300600      0.9119000    
 C    4.812600      0.4279000       1.078500    
 C   -6.502700       2.723900      0.7624000    
 C    5.852500       1.120000      0.2472000    
 C   -7.343700       1.177200     -0.8921000    
 C   -7.523800       2.304200     -9.0200000E-02
 C    7.153500      0.6499000      0.2135000    
 C    5.528600       2.234400     -0.4975000    
 C    8.095300       1.311200     -0.5669000    
 C    7.679800       2.422700      -1.282100    
 H    1.708400      -3.423600       1.445500    
 H    1.779700      -4.070800     -0.1903000    
 H   4.5699999E-02  -1.709500       2.070600    
 H   0.1850000      -3.348100      -1.912900    
 H   -2.164600     -0.8101000       1.643300    
 H   -2.036800      -2.420200      -2.377700    
 H    3.040800      -2.255500     -0.9085000    
 H   -3.218600      0.5608000      0.6511000    
 H   -6.089700     -0.3874000      -1.494000    
 H    4.065500       1.151300       1.428100    
 H    5.277700     -3.2600001E-02   1.959000    
 H   -6.656700       3.604100       1.381600    
 H   -8.139900      0.8516000      -1.555500    
 H   -8.459100       2.854800     -0.1299000    
 H    7.448700     -0.2260000      0.7839000    
 H   -3.408000       1.963600       1.779200    
 H   -4.440900       3.279400       2.255400    
 H    4.522500       2.641200     -0.5070000    
 H    9.122100      0.9670000     -0.6144000    
 H    8.375800       2.973600      -1.906000    


%chk=000004261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004261

0 1
O 4.233380 1.093576 -0.446710
O -4.543686 -1.578138 -1.712624
O 3.796390 -0.380353 1.351323
N 2.735549 -0.587480 -0.737019
N -4.494160 -0.087139 0.097670
N -5.263339 1.159333 2.395526
N 8.833875 1.195853 -0.789062
C 0.419866 -1.512889 -0.515904
C 1.920814 -1.761819 -0.396662
C -2.399463 -1.091921 -0.680663
C -0.170742 -0.353833 0.047698
C -0.414102 -2.447359 -1.178271
C -1.562040 -0.143692 -0.032342
C -1.804936 -2.238689 -1.263704
C -3.894470 -0.940691 -0.823756
C -5.845897 0.345060 0.152813
C -6.225559 1.043187 1.344586
C -6.780886 0.174846 -0.897694
C 3.599344 -0.008848 0.162199
C 5.248345 1.796499 0.403815
C -7.507904 1.633557 1.422376
C 6.619426 1.170598 0.279387
C -8.064204 0.754643 -0.791573
C -8.422420 1.503102 0.353094
C 6.995007 0.041577 1.052849
C 7.578906 1.705329 -0.617995
C 8.288430 -0.499364 0.889807
C 9.169244 0.104199 -0.038339
H 2.188079 -2.024102 0.644249
H 2.208180 -2.619000 -1.035895
H 0.465566 0.389548 0.541262
H 0.028643 -3.342098 -1.633011
H -1.974613 0.784582 0.382018
H -2.457001 -2.944282 -1.788477
H 2.667501 -0.172641 -1.667527
H -3.904308 0.350448 0.814948
H -6.486487 -0.398163 -1.778854
H 5.235670 2.824590 0.008835
H 4.890396 1.779068 1.448028
H -7.795263 2.175228 2.332042
H -8.780415 0.625213 -1.609813
H -9.414303 1.961880 0.426510
H 6.275224 -0.399458 1.750783
H -4.907919 0.284577 2.792793
H -5.455487 1.874305 3.099084
H 7.335387 2.582913 -1.230974
H 8.613395 -1.369623 1.468665
H 10.180687 -0.288529 -0.193889


