%chk=000044859.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044859

0 1
 O   0.4790000     -0.3982000      0.1744000    
 O    1.930100      0.7425000       1.552100    
 N   -4.360200     -0.1517000      0.1958000    
 C   -5.585500      0.2225000      0.9278000    
 C   -6.806400     -0.4506000      0.2718000    
 C   -4.406800      0.1883000      -1.230700    
 C   -6.911600     -0.1442000      -1.219100    
 C   -5.600100     -0.4724000      -1.921400    
 C   -3.141900      0.3592000      0.8177000    
 C   -5.813600       1.733100       1.094200    
 C   -1.912600     -0.2676000      0.1675000    
 C  -0.6253000      0.2301000      0.8106000    
 C    2.795400     -0.8117000     -0.1269000    
 C    1.720700     -5.1800001E-02  0.6445000    
 C    3.015300      -2.191300      0.5262000    
 C    4.064900      1.3200000E-02 -0.2727000    
 C    3.973000      -3.077200     -0.2609000    
 C    4.204100      0.8361000      -1.372200    
 C    5.040500     -8.4600002E-02  0.6991000    
 C    5.368200       1.592900      -1.505900    
 C    6.204500      0.6723000      0.5654000    
 C    6.368300       1.511100     -0.5371000    
 H   -5.511400     -0.1999000       1.939100    
 H   -6.727500      -1.538200      0.4037000    
 H   -7.729900     -0.1440000      0.7771000    
 H   -3.538500     -0.1831000      -1.779000    
 H   -4.440400       1.274100      -1.381900    
 H   -7.727300     -0.7262000      -1.662600    
 H   -7.157800      0.9132000      -1.369400    
 H   -5.650600     -0.1473000      -2.966900    
 H   -5.458600      -1.561000      -1.933400    
 H   -3.137100      0.1060000       1.885100    
 H   -3.077800       1.451300      0.7388000    
 H   -6.757700       1.919300       1.618500    
 H   -5.021700       2.192600       1.694200    
 H   -5.860700       2.259100      0.1362000    
 H   -1.954600      -1.362500      0.2332000    
 H   -1.821100     -2.7300000E-02 -0.8956000    
 H  -0.6192000     -1.9099999E-02   1.878300    
 H  -0.5430000       1.317300      0.6954000    
 H    2.405000     -0.9851000      -1.140600    
 H    2.047200      -2.708100      0.5759000    
 H    3.343700      -2.109200       1.568400    
 H    4.995400      -2.690900     -0.2625000    
 H    4.002300      -4.077700      0.1832000    
 H    3.643200      -3.183100      -1.299600    
 H    3.429700      0.9086000      -2.129900    
 H    4.938900     -0.7052000       1.581700    
 H    5.495400       2.246800      -2.363700    
 H    6.981100      0.6135000       1.322300    
 H    7.273900       2.101600     -0.6403000    


%chk=000044859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044859

0 1
O 0.550511 -0.894174 0.438455
O 1.869811 -0.403538 2.294264
N -4.276548 0.063176 -0.057586
C -5.584159 -0.024992 0.665280
C -6.702189 -0.370196 -0.353497
C -4.272503 1.052751 -1.163893
C -6.750874 0.630941 -1.530725
C -5.363198 0.722154 -2.203382
C -3.101409 0.169631 0.836889
C -5.940239 1.226620 1.522520
C -1.823731 -0.431679 0.204222
C -0.629324 -0.313694 1.150953
C 2.898987 -1.423274 0.278635
C 1.761645 -0.857406 1.130002
C 3.771418 -2.384220 1.143138
C 3.716423 -0.270342 -0.323348
C 4.871702 -3.087124 0.323503
C 3.895780 -0.177828 -1.725643
C 4.324032 0.703524 0.511729
C 4.674059 0.860581 -2.287306
C 5.099413 1.742352 -0.048186
C 5.280059 1.824033 -1.449228
H -5.489850 -0.884387 1.360576
H -6.502376 -1.383281 -0.753475
H -7.676858 -0.403881 0.170911
H -3.281008 1.027769 -1.651281
H -4.419494 2.099666 -0.790636
H -7.515990 0.313994 -2.264766
H -7.056032 1.633590 -1.169127
H -5.362028 1.493220 -2.998004
H -5.118977 -0.249539 -2.674914
H -3.332391 -0.388558 1.766294
H -2.895698 1.227567 1.144883
H -6.871603 1.043851 2.089999
H -5.141310 1.449523 2.253284
H -6.094957 2.128323 0.903801
H -2.011502 -1.492038 -0.041423
H -1.579205 0.084326 -0.742345
H -0.778238 -0.874291 2.092860
H -0.395910 0.736295 1.409617
H 2.440070 -1.995118 -0.547774
H 3.109159 -3.141582 1.606857
H 4.216081 -1.806249 1.973974
H 5.561679 -2.354948 -0.132451
H 5.465701 -3.761609 0.966472
H 4.436357 -3.695286 -0.492157
H 3.424368 -0.921385 -2.379888
H 4.172799 0.654445 1.596458
H 4.805163 0.917057 -3.373946
H 5.560484 2.490184 0.607148
H 5.882801 2.630545 -1.881846


