%chk=000076291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076291

0 1
 O   -4.674000      0.8700000      0.5734000    
 O    4.472600      0.8764000      0.8946000    
 N   -3.297200      0.8796000      0.6924000    
 N    3.307100      0.9739000      0.4900000    
 C  -0.6404000      -1.593500     -0.1468000    
 C  -0.6894000      0.9553000     -0.4161000    
 C   0.7169000      -1.572500     -0.1746000    
 C   0.6677000      0.9782000     -0.4503000    
 C   -1.358700     -0.3009000      1.7700000E-02
 C    1.401800     -0.2556000     -5.3399999E-02
 C   -1.482000      -2.838200     -0.2948000    
 C   -1.577500       2.111500     -0.8088000    
 C    1.588900      -2.794200     -0.3398000    
 C    1.493200       2.165700     -0.8840000    
 C   -2.608100     -0.2722000      0.5258000    
 C    2.679200     -0.1835000      0.3747000    
 H   -2.301800      -2.667600      -1.002400    
 H   -1.906800      -3.130300      0.6715000    
 H  -0.9368000      -3.700200     -0.6812000    
 H   -2.483800       1.796100      -1.336900    
 H   -1.086600       2.749500      -1.550400    
 H   -1.799600       2.770600      3.4800000E-02
 H    2.372200      -2.612200      -1.084800    
 H    1.053500      -3.678400     -0.6877000    
 H    2.061400      -3.059900      0.6119000    
 H    2.322000       1.885700      -1.544600    
 H    1.822400       2.775200     -3.6200002E-02
 H   0.9117000       2.852300      -1.506100    
 H   -3.183700      -1.156200      0.7710000    
 H    3.221300      -1.079700      0.6640000    
 H   -2.894300       1.639200       1.226900    
 H   -4.954200      0.7574000       1.497900    


%chk=000076291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000076291

0 1
O -5.000047 0.501174 0.579703
O 4.983767 0.477664 0.289536
N -3.559221 0.741850 0.693336
N 3.729057 0.829726 0.094876
C -0.666188 -1.509919 -0.143931
C -0.688033 1.005125 -0.404500
C 0.729370 -1.490210 -0.143353
C 0.708583 1.034427 -0.381431
C -1.407919 -0.240287 -0.123583
C 1.458635 -0.208975 -0.147623
C -1.457787 -2.813702 -0.143679
C -1.484165 2.237989 -0.829144
C 1.543562 -2.776089 -0.083515
C 1.459659 2.334898 -0.595416
C -2.756882 -0.297187 0.271560
C 2.865161 -0.271327 0.024747
H -2.393433 -2.719576 -0.721393
H -1.721491 -3.145349 0.880067
H -0.890086 -3.630736 -0.611661
H -2.437163 1.953460 -1.309725
H -0.929188 2.817427 -1.583223
H -1.688768 2.941047 0.006454
H 2.277340 -2.829067 -0.908830
H 0.918216 -3.677572 -0.137403
H 2.115816 -2.841581 0.861310
H 2.098401 2.287174 -1.497096
H 2.170145 2.507451 0.229138
H 0.789911 3.203457 -0.679506
H -3.248019 -1.263090 0.410526
H 3.358053 -1.244962 0.155480
H -3.335239 1.717677 0.474276
H -5.325048 0.510584 1.521701


