%chk=000027389.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027389

0 1
 O   -2.136600      -1.699400      0.5442000    
 O    3.037200       2.006300      0.2939000    
 N   -3.665000     -0.2365000     -0.4095000    
 N    1.078900      0.5732000      -1.035000    
 N    2.355900      8.2099997E-02 -0.8095000    
 N    7.133300     -0.7986000      0.3966000    
 C   -4.851400     -0.9113000      6.8200000E-02
 C   -5.248300     -0.4083000       1.460200    
 C   -6.007700     -0.7634000     -0.9265000    
 C   -5.819700       1.009200       1.428800    
 C   -6.577700      0.6548000     -0.9540000    
 C   -6.975800       1.128700      0.4405000    
 C   -2.389900     -0.7000000     -0.1232000    
 C   -1.320900      0.1842000     -0.7409000    
 C   8.8299997E-02 -0.3120000     -0.4352000    
 C    3.264800      0.8775000     -0.1342000    
 C    4.617900      0.2912000      5.1199999E-02
 C    5.696800       1.133500      0.1769000    
 C    4.751000      -1.076200      9.2200004E-02
 C    6.936200      0.5379000      0.3481000    
 C    6.032600      -1.573000      0.2671000    
 H   -4.609800      -1.978500      0.1493000    
 H   -4.389000     -0.4376000       2.140700    
 H   -6.006100      -1.082900       1.879000    
 H   -6.809100      -1.459600     -0.6478000    
 H   -5.680300      -1.042900      -1.935100    
 H   -6.164100       1.287400       2.431400    
 H   -5.030300       1.720500       1.156700    
 H   -7.453600      0.6821000      -1.612300    
 H   -5.843600       1.347700      -1.381600    
 H   -7.824000      0.5326000      0.7990000    
 H   -7.315100       2.169600      0.3935000    
 H   -3.769700      0.6344000     -0.9218000    
 H   -1.455700       1.201800     -0.3535000    
 H   -1.487200      0.2115000      -1.825100    
 H   0.2338000     -0.3528000      0.6518000    
 H   0.2057000      -1.334200     -0.8183000    
 H   0.9469000      0.6022000      -2.045600    
 H    2.588000     -0.8148000      -1.223400    
 H    5.610400       2.213200      0.1423000    
 H    3.923900      -1.772300      2.7700000E-02
 H    7.832400       1.140600      0.4527000    
 H    6.212400      -2.642000      0.3166000    


%chk=000027389-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000027389

0 1
O -2.607769 -2.355053 -0.657593
O 2.838159 1.894843 -1.214396
N -3.755805 -0.347670 -0.902546
N 1.028779 -0.260343 -1.677413
N 2.266029 -0.377158 -1.014307
N 6.721534 0.022193 1.530967
C -5.025694 -0.858990 -0.329845
C -4.989407 -0.859318 1.223792
C -6.215491 -0.019123 -0.855348
C -5.007465 0.571722 1.809102
C -6.244308 1.413451 -0.262938
C -6.219272 1.380544 1.284724
C -2.634594 -1.140832 -1.037141
C -1.422934 -0.471661 -1.698786
C -0.130921 -0.768290 -0.909917
C 3.077263 0.735292 -0.778845
C 4.322974 0.432621 0.031066
C 5.455874 1.260994 -0.161288
C 4.408245 -0.593483 1.006827
C 6.621250 1.017218 0.596252
C 5.616005 -0.756062 1.724373
H -5.116288 -1.905858 -0.675172
H -4.098362 -1.419129 1.560468
H -5.877983 -1.416569 1.584777
H -7.148820 -0.540231 -0.565043
H -6.195446 0.012184 -1.962081
H -5.029190 0.524663 2.914548
H -4.068477 1.095277 1.534519
H -7.145907 1.944394 -0.623381
H -5.376661 2.004168 -0.628958
H -7.155513 0.909335 1.649629
H -6.199463 2.410856 1.688858
H -3.712158 0.629017 -1.198266
H -1.548912 0.620785 -1.806402
H -1.330781 -0.896161 -2.719972
H -0.149124 -0.240941 0.060458
H -0.088071 -1.862157 -0.703650
H 1.076693 -0.606545 -2.646174
H 2.594676 -1.305042 -0.713480
H 5.404029 2.081164 -0.883357
H 3.553792 -1.235828 1.247558
H 7.515952 1.635280 0.463532
H 5.709359 -1.533655 2.490950


