%chk=000020039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020039

0 1
 O   -2.296000     -0.1172000     -0.7678000    
 O   -4.753700       1.190500      -1.234900    
 N  -4.1200001E-02 -6.5300003E-02 -4.3400001E-02
 N    1.160700       1.752300      0.4245000    
 N    1.747800      -1.638400     -0.5171000    
 N    3.937500     -0.5868000     -0.2815000    
 N    4.199900       1.708600      0.3424000    
 C   -1.216500     -0.9135000     -0.2469000    
 C   -1.713600      -1.590900       1.025900    
 C   -2.930800     -0.7774000       1.400800    
 C   -3.458400     -0.3591000      4.0899999E-02
 C   -4.325500      0.8838000      8.2599998E-02
 C    1.267000     -0.4336000     -0.1756000    
 C  -5.4000001E-02   1.255700      0.3173000    
 C    1.996200      0.7074000      0.1193000    
 C    3.382100      0.6016000      5.7399999E-02
 C    3.098300      -1.617700     -0.5438000    
 H  -0.9437000      -1.652800      -1.008300    
 H   -2.025500      -2.616200      0.7914000    
 H  -0.9701000      -1.646400       1.826800    
 H   -3.662600      -1.339200       1.987800    
 H   -2.619300      9.6500002E-02   1.985500    
 H   -4.004500      -1.183400     -0.4348000    
 H   -3.771500       1.749100      0.4609000    
 H   -5.209800      0.7296000      0.7076000    
 H  -0.9683000       1.805700      0.4939000    
 H   -3.957800       1.318500      -1.779100    
 H    3.577100      -2.553500     -0.8115000    
 H    3.787800       2.596500      0.5952000    
 H    5.204300       1.606700      0.2903000    


%chk=000020039-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020039

0 1
O -2.627014 -0.262125 -0.980475
O -4.537425 1.783941 -0.226065
N -0.257334 -0.099126 -0.592876
N 0.972171 1.842868 -0.706442
N 1.498414 -1.609487 0.363077
N 3.619600 -0.421049 0.748762
N 3.910326 1.872922 0.256423
C -1.396889 -1.035752 -0.854974
C -1.629895 -2.007721 0.316611
C -2.498959 -1.159846 1.279711
C -3.395704 -0.342785 0.326223
C -3.711583 1.089740 0.764196
C 1.019985 -0.413791 -0.099967
C -0.216639 1.260700 -0.951259
C 1.755061 0.802580 -0.174623
C 3.107094 0.765341 0.278075
C 2.801928 -1.518221 0.762892
H -1.219769 -1.533405 -1.823717
H -2.203445 -2.872149 -0.062884
H -0.685089 -2.365247 0.753832
H -3.092607 -1.786791 1.964181
H -1.861474 -0.489392 1.885719
H -4.335405 -0.871733 0.079438
H -2.763366 1.636005 0.956847
H -4.312970 1.080837 1.689648
H -1.082700 1.756920 -1.378966
H -4.087966 1.696307 -1.106059
H 3.253247 -2.439227 1.144111
H 3.544181 2.756599 -0.091570
H 4.870126 1.794189 0.585932


