%chk=000004520.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004520

0 1
 O  -0.6161000      -1.287100      -1.893000    
 O   -1.104100      -1.833100       1.588300    
 N  -0.5442000      0.3622000      4.4000000E-02
 N  -0.7234000      -1.023100     -0.4940000    
 N    4.314600     -0.2297000      0.2639000    
 N   -1.023700      -2.157700      0.3984000    
 C   -1.638700       1.285600     -0.2725000    
 C   0.7413000       1.010300     -0.1886000    
 C    1.885900      5.3399999E-02  0.1393000    
 C    3.234100      0.7148000     -0.1089000    
 C   -1.551200       2.530600      0.6057000    
 C   -2.974500      0.5738000     -8.2599998E-02
 H   -1.582200       1.597300      -1.324000    
 H   0.8758000       1.885500      0.4545000    
 H   0.8306000       1.339800      -1.231500    
 H    1.837400     -0.8555000     -0.4706000    
 H    1.816100     -0.2604000       1.189200    
 H    3.371900       1.609600      0.5052000    
 H    3.380200      0.9653000      -1.163800    
 H   -2.474700       3.116600      0.5294000    
 H   -1.418000       2.274300       1.663000    
 H  -0.7427000       3.202600      0.3015000    
 H   -3.133300     -0.2354000     -0.8017000    
 H   -3.801200       1.278500     -0.2320000    
 H   -3.079200      0.1691000      0.9305000    
 H    5.241400      0.1884000      0.1078000    
 H    4.271700      -1.094400     -0.2917000    
 H    4.261800     -0.4944000       1.256600    


%chk=000004520-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004520

0 1
O -0.976180 -1.089502 -1.937539
O 0.579121 -1.746686 1.183882
N -0.080680 0.425150 -0.251663
N -0.389856 -0.973036 -0.770268
N 2.680471 -0.292832 1.112150
N -0.086085 -2.043757 -0.019719
C -1.408715 1.127081 -0.012145
C 0.764346 1.083914 -1.295767
C 2.235971 0.634811 -1.199550
C 2.858403 0.884279 0.195684
C -1.138101 2.394581 0.827247
C -2.384326 0.191614 0.729383
H -1.856757 1.410584 -0.991110
H 0.707082 2.171795 -1.115314
H 0.353355 0.884155 -2.308668
H 2.814036 1.191476 -1.961896
H 2.326658 -0.437167 -1.465126
H 2.361255 1.747705 0.672649
H 3.935076 1.131938 0.094697
H -2.090200 2.925254 1.008618
H -0.702998 2.115263 1.803492
H -0.454659 3.105381 0.329121
H -2.702470 -0.651491 0.093915
H -3.286597 0.759731 1.017707
H -1.915442 -0.213869 1.643735
H 2.865767 -0.039546 2.094423
H 3.308938 -1.067971 0.849108
H 1.338185 -0.941958 1.095352


