%chk=000052038.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052038

1 1
 O  -0.2786000      0.6114000       1.482900    
 O    3.364700     -0.1106000      0.9711000    
 N   -2.516200     -0.2224000     -4.7899999E-02
 N   0.6877000       1.528000     -0.4193000    
 C   -3.785400     -0.2379000     -0.8875000    
 C   -1.766000      -1.532900     -0.2376000    
 C   -1.632000      0.9361000     -0.4865000    
 C   -2.881200     -5.4600000E-02   1.420100    
 C   -4.526400       1.067100     -0.6948000    
 C   -2.649600      -2.680600      0.1999000    
 C  -0.3582000      0.9939000      0.3186000    
 C    2.012400       1.689400      0.1313000    
 C    2.878700      0.4860000     -0.1297000    
 C    3.266900     -0.1175000      -1.274300    
 C    4.077400      -1.201400     -0.8603000    
 C    4.105600      -1.154000      0.5141000    
 H   -3.505900     -0.3933000      -1.935400    
 H   -4.432900      -1.053200     -0.5550000    
 H   -1.496400      -1.620800      -1.296200    
 H  -0.8511000      -1.521000      0.3615000    
 H   -1.427800      0.8093000      -1.555500    
 H   -2.150900       1.883500     -0.3162000    
 H   -2.146100     -0.5524000       2.058700    
 H   -2.943000       1.009700       1.669100    
 H   -3.855100     -0.5212000       1.605200    
 H   -5.501900      0.9869000      -1.190400    
 H   -4.736800       1.319400      0.3471000    
 H   -4.028000       1.913400      -1.175400    
 H   -2.049500      -3.598900      0.1932000    
 H   -3.046400      -2.587000       1.213300    
 H   -3.473800      -2.871400     -0.4928000    
 H   0.5338000       1.811000      -1.382700    
 H    1.939000       1.886200       1.206500    
 H    2.459500       2.568700     -0.3444000    
 H    3.013900      0.1658000      -2.285600    
 H    4.578200      -1.926600      -1.485400    
 H    4.581000      -1.757800       1.273300    


%chk=000052038-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052038

1 1
O -0.345626 0.322725 1.711941
O 3.122841 -0.896357 -0.443459
N -2.754959 -0.254698 0.173835
N 0.793803 1.045537 -0.187026
C -3.882530 -0.359069 -0.893160
C -2.267070 -1.699495 0.528848
C -1.581713 0.528023 -0.431641
C -3.282532 0.455505 1.425832
C -4.400948 0.970974 -1.451681
C -3.346095 -2.641002 1.073248
C -0.321715 0.608633 0.474467
C 2.117905 1.168481 0.486586
C 3.205819 0.509617 -0.297299
C 4.361346 0.968623 -0.909852
C 5.041853 -0.184678 -1.463140
C 4.265719 -1.290137 -1.166000
H -3.476617 -0.995723 -1.699503
H -4.701219 -0.907023 -0.401543
H -1.830622 -2.098155 -0.405075
H -1.463706 -1.557186 1.267368
H -1.337804 0.046940 -1.395783
H -1.939759 1.551788 -0.632767
H -2.504406 0.405489 2.199746
H -3.494451 1.506223 1.179274
H -4.207353 -0.041620 1.750875
H -5.236060 0.738239 -2.135915
H -4.807042 1.637122 -0.672581
H -3.651794 1.520899 -2.044412
H -2.846081 -3.592926 1.326055
H -3.806096 -2.272204 2.005010
H -4.137814 -2.881589 0.345217
H 0.770277 1.224315 -1.195142
H 1.994626 0.717462 1.487083
H 2.369644 2.235150 0.623722
H 4.698942 2.002794 -0.953697
H 5.984974 -0.187483 -2.004984
H 4.355863 -2.354896 -1.361447


