%chk=000026391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026391

0 1
 O  -0.4381000      -1.773700     -0.7845000    
 O  -2.0300001E-02  -1.290000       2.785500    
 O    5.389000      0.1255000      0.4417000    
 O   -3.249300       3.777800     -0.5458000    
 O    5.225000      0.9206000      -1.753900    
 O   -1.570800       5.017600      0.5151000    
 N   -1.547000      -2.566400       1.670600    
 C  -0.2012000     -0.9421000      0.3667000    
 C    1.318000     -0.6522000      0.3866000    
 C   -1.029100      0.3402000      0.1194000    
 C  -0.5495000      -1.619700       1.722500    
 C   -1.522400      -2.599200     -0.7335000    
 C   -2.087500      -3.012300      0.4653000    
 C    1.779500      0.5888000      0.8160000    
 C  -0.8445000       1.068000      -1.053200    
 C    2.215300      -1.633900     -2.4300000E-02
 C   -1.955900      0.7609000       1.069700    
 C   -2.020800      -3.081600      -1.943400    
 C   -3.160700      -3.905000      0.4688000    
 C    3.149500      0.8503000      0.8348000    
 C   -1.591700       2.224300      -1.277000    
 C    3.585400      -1.372400     -5.4000001E-03
 C   -2.703100       1.917300      0.8460000    
 C    4.052400     -0.1303000      0.4240000    
 C   -2.521000       2.649100     -0.3275000    
 C   -3.101100      -3.964300      -1.946500    
 C   -3.671000      -4.375100     -0.7413000    
 C    5.884400      0.6739000     -0.7527000    
 C   -2.648400       4.951300     -6.1299998E-02
 C    7.359500      0.9184000     -0.6330000    
 C   -3.524800       6.134000     -0.3494000    
 H   -1.893000      -2.967400       2.537400    
 H    1.111800       1.367400       1.171400    
 H  -0.1285000      0.7506000      -1.806500    
 H    1.876600      -2.613300     -0.3497000    
 H   -2.134500      0.2299000       1.998000    
 H   -1.574700      -2.774900      -2.885500    
 H   -3.604400      -4.240300       1.402400    
 H    3.507400       1.817700       1.177000    
 H   -1.445900       2.789000      -2.193900    
 H    4.283700      -2.141900     -0.3233000    
 H   -3.425600       2.242900       1.589500    
 H   -3.494700      -4.336900      -2.887700    
 H   -4.508200      -5.067000     -0.7451000    
 H    7.551800       1.623600      0.1794000    
 H    7.732800       1.349800      -1.566000    
 H    7.876600     -2.7300000E-02 -0.4533000    
 H   -3.665300       6.235000      -1.428300    
 H   -3.044600       7.041700      2.7000001E-02
 H   -4.486500       6.012000      0.1549000    


%chk=000026391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026391

0 1
O -0.301453 -1.793372 -0.840963
O 0.302238 -1.269969 2.725091
O 5.631360 0.403470 0.085891
O -3.170698 3.911814 -0.595144
O 6.577785 -1.292993 -1.252323
O -3.952135 4.540210 1.539994
N -1.366335 -2.451876 1.632910
C -0.006833 -0.851956 0.292534
C 1.491818 -0.542783 0.178328
C -0.884100 0.407359 0.135974
C -0.311931 -1.548675 1.658701
C -1.542909 -2.455850 -0.785260
C -2.094077 -2.812253 0.471302
C 2.032601 0.578635 0.853859
C -1.050752 0.955965 -1.161864
C 2.357972 -1.387338 -0.551908
C -1.493302 1.054814 1.234604
C -2.175008 -2.838036 -1.980958
C -3.301090 -3.543032 0.526213
C 3.411080 0.848933 0.794069
C -1.819970 2.115580 -1.352747
C 3.744956 -1.128163 -0.630472
C -2.268575 2.225156 1.064064
C 4.259695 -0.003161 0.052858
C -2.425231 2.745433 -0.240312
C -3.377201 -3.580391 -1.923878
C -3.940189 -3.928376 -0.673167
C 6.695602 -0.262169 -0.559378
C -3.882345 4.732833 0.310054
C 7.980610 0.481534 -0.268115
C -4.528252 5.860341 -0.463303
H -1.624888 -2.862891 2.534902
H 1.379885 1.239366 1.431312
H -0.580462 0.461829 -2.017804
H 1.945168 -2.252323 -1.076434
H -1.361371 0.660818 2.248249
H -1.719402 -2.557330 -2.935305
H -3.732483 -3.813506 1.497372
H 3.844263 1.708219 1.313978
H -1.961474 2.548442 -2.347412
H 4.403393 -1.782289 -1.201811
H -2.734159 2.715351 1.918999
H -3.873209 -3.879876 -2.852589
H -4.874065 -4.497762 -0.629771
H 7.907301 1.522592 -0.627438
H 8.820032 -0.026482 -0.763815
H 8.157124 0.522477 0.820628
H -3.757596 6.452700 -0.986273
H -5.089823 6.505476 0.227176
H -5.206963 5.453908 -1.232916


