%chk=000040940.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040940

0 1
 O   -1.103600      -2.324200      -1.529400    
 O    1.664200      0.5059000      -4.197100    
 O    1.906900      -1.160000      -2.671800    
 N   0.9544000     -0.3075000       1.418900    
 C  -0.9126000      0.1643000     -0.1387000    
 C   0.5228000      0.1530000      0.2040000    
 C    1.626800      0.5477000     -0.5159000    
 C    2.775500      0.3185000      0.2923000    
 C    2.325800     -0.2184000       1.500500    
 C   -1.701300      -1.055100      0.4135000    
 C   -1.664500       1.508300      7.6499999E-02
 C    1.618800       1.109300      -1.883200    
 C    4.158800      0.5165000      0.1112000    
 C   -1.732800      -2.201300     -0.3271000    
 C    3.193700     -0.5684000       2.540900    
 C   -2.320900     -0.8992000       1.621200    
 C   -2.676700       1.813500     -0.7858000    
 C   -1.265700       2.298900       1.114500    
 C    5.038800      0.1712000       1.143400    
 C    4.561400     -0.3626000       2.338800    
 C    1.732200      2.4000000E-02  -2.930800    
 C   -2.445300      -3.286600      0.1833000    
 C   -3.033400      -1.984400       2.131300    
 C   -3.351400       3.018900     -0.5928000    
 C   -1.940600       3.504300       1.307400    
 C   -3.095700      -3.178000       1.412300    
 C   -2.983400       3.864300      0.4538000    
 C   -1.852200      -1.972700      -2.691300    
 H  -0.9266000      6.5200001E-02  -1.233000    
 H   0.3644000     -0.6554000       2.161600    
 H    2.459100       1.799300      -2.017900    
 H   0.6956000       1.669500      -2.066900    
 H    4.548300      0.9302000     -0.8145000    
 H    2.822900     -0.9843000       3.471800    
 H   -2.273800      5.4000001E-03   2.214500    
 H   -2.968900       1.160100      -1.600200    
 H  -0.4691000       2.039100       1.800900    
 H    6.106800      0.3215000       1.009300    
 H    5.262600     -0.6239000       3.127200    
 H   -2.497400      -4.220000     -0.3708000    
 H   -3.535600      -1.902100       3.090900    
 H   -4.163800       3.299000      -1.256900    
 H   -1.656500       4.161400       2.124200    
 H   -3.649300      -4.023400       1.810400    
 H   -3.509500       4.802300      0.6048000    
 H   -1.149200      -1.738100      -3.495100    
 H   -2.495600      -1.104000      -2.521300    
 H   -2.465100      -2.825200      -2.999500    
 H    1.758000     -0.2064000      -4.865100    


%chk=000040940-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040940

0 1
O -1.223115 -1.864473 -1.684114
O 3.263232 0.209926 -3.446465
O 1.248218 -0.912874 -3.666492
N 0.730212 -0.154754 1.310100
C -1.189906 0.453302 -0.232807
C 0.291369 0.288511 0.051249
C 1.411962 0.565128 -0.741460
C 2.590202 0.276931 0.061138
C 2.127108 -0.180465 1.346103
C -1.966967 -0.769714 0.287919
C -1.769455 1.794897 0.256204
C 1.398859 1.073823 -2.167904
C 3.988823 0.364903 -0.174351
C -1.932916 -1.969950 -0.485382
C 3.011255 -0.553521 2.381128
C -2.663190 -0.783744 1.515557
C -3.096902 2.140824 -0.112832
C -1.022220 2.713540 1.032686
C 4.875438 -0.000280 0.858007
C 4.393878 -0.456535 2.120914
C 1.899979 0.022272 -3.153879
C -2.580783 -3.144471 -0.037343
C -3.311590 -1.955364 1.978563
C -3.662941 3.370424 0.283874
C -1.587950 3.946780 1.434702
C -3.266333 -3.131285 1.199973
C -2.909063 4.280666 1.063260
C -1.056361 -3.051439 -2.526907
H -1.289754 0.431424 -1.334783
H 0.101254 -0.486551 2.040427
H 2.034563 1.971142 -2.269298
H 0.372129 1.340214 -2.469343
H 4.367071 0.703125 -1.144414
H 2.643503 -0.902471 3.352618
H -2.719471 0.140387 2.102949
H -3.686978 1.436027 -0.711787
H 0.007770 2.471667 1.315363
H 5.956793 0.064369 0.691955
H 5.110518 -0.734961 2.901818
H -2.556702 -4.059010 -0.637795
H -3.849777 -1.943705 2.932099
H -4.687336 3.620647 -0.014789
H -0.993770 4.645927 2.034289
H -3.767551 -4.041806 1.547252
H -3.345609 5.237272 1.371768
H -0.404348 -2.709503 -3.342589
H -2.030600 -3.400257 -2.921878
H -0.565388 -3.870009 -1.965955
H 3.570143 -0.516584 -4.055050


