%chk=000028776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028776

0 1
 O   -2.487200      -1.709400     -0.2863000    
 O    3.757000      8.3099999E-02 -0.8693000    
 O    4.175100      0.6670000       1.342200    
 N  -0.9657000      3.1399999E-02  0.1280000    
 N    5.606000       1.338300     -0.3560000    
 C   -4.717400     -5.9099998E-02 -3.8100000E-02
 C   -5.786800       1.012300      0.1779000    
 C   -3.312700      0.5147000      0.1343000    
 C   -7.191200      0.4454000     -2.8000001E-02
 C   -2.225400     -0.5372000     -3.7700001E-02
 C   0.2903000     -0.6154000      4.5499999E-02
 C   -8.256000       1.515300      0.1530000    
 C    1.409200      8.2699999E-02 -0.3799000    
 C    2.637500     -0.5740000     -0.4550000    
 C   0.3677000      -1.953800      0.3979000    
 C    1.319800       1.527300     -0.7595000    
 C    2.730900      -1.920700     -0.1039000    
 C    1.596000      -2.610500      0.3227000    
 C    4.495400      0.7010000      0.1577000    
 C    6.557700       2.061800      0.4545000    
 H   -4.872200     -0.8809000      0.6720000    
 H   -4.818300     -0.4869000      -1.043400    
 H   -5.699600       1.421500       1.191700    
 H   -5.620600       1.841400     -0.5207000    
 H   -3.142900       1.309300     -0.6022000    
 H   -3.208000      0.9524000       1.134400    
 H   -7.278000      2.0700000E-02  -1.034900    
 H   -7.372300     -0.3681000      0.6842000    
 H   -8.122600       2.327800     -0.5684000    
 H   -9.252300       1.087900      2.6000000E-03
 H   -8.217400       1.940600       1.161000    
 H  -0.9355000       1.047800      0.1371000    
 H  -0.4841000      -2.514900      0.7672000    
 H    1.180100       2.144000      0.1344000    
 H    2.212200       1.891000      -1.278000    
 H   0.4861000       1.696900      -1.450000    
 H    3.684600      -2.438800     -0.1586000    
 H    1.670900      -3.657100      0.6037000    
 H    5.762000       1.297700      -1.358500    
 H    6.568300       3.102100      0.1205000    
 H    7.545100       1.621500      0.2960000    
 H    6.296200       2.015100       1.514100    


%chk=000028776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028776

0 1
O -2.474077 -1.862515 0.799027
O 3.802742 -0.029929 -0.853364
O 3.980986 1.190101 1.185535
N -0.966131 -0.128139 0.290619
N 5.560070 1.366236 -0.553940
C -4.607771 0.059577 0.006609
C -5.778885 1.019853 0.307556
C -3.316288 0.437342 0.772140
C -7.065866 0.661000 -0.470376
C -2.227160 -0.632484 0.622024
C 0.265924 -0.823482 0.115549
C -8.241938 1.611093 -0.157381
C 1.398898 -0.047540 -0.292658
C 2.631101 -0.728508 -0.413824
C 0.378049 -2.220966 0.339339
C 1.283915 1.436879 -0.585976
C 2.768651 -2.112328 -0.192348
C 1.627403 -2.853052 0.176362
C 4.424040 0.888583 0.054088
C 6.444985 2.334398 0.098442
H -4.881872 -0.975281 0.285015
H -4.402370 0.050617 -1.082974
H -5.994486 1.004564 1.396759
H -5.484576 2.062508 0.062868
H -2.957144 1.435420 0.450159
H -3.555367 0.514803 1.852120
H -6.851546 0.680589 -1.558425
H -7.355919 -0.381813 -0.229969
H -7.987273 2.656708 -0.415111
H -9.148375 1.334220 -0.726416
H -8.497388 1.584247 0.918853
H -0.917786 0.885675 0.177274
H -0.509683 -2.782755 0.633291
H 1.212776 2.031780 0.345239
H 2.171988 1.795979 -1.128390
H 0.406940 1.664179 -1.223552
H 3.750080 -2.580033 -0.310950
H 1.710289 -3.931179 0.348832
H 5.785618 0.996144 -1.477630
H 6.534824 3.261031 -0.497947
H 7.454211 1.912092 0.258838
H 6.010309 2.585585 1.078891


