%chk=000050974.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050974

0 1
 O    3.631000     -0.1760000     -0.1961000    
 O   -2.926500      0.4775000      0.2852000    
 O   -1.595900      -3.059100      0.3476000    
 O    4.671100       1.802900      0.3864000    
 O   -4.667400       1.004500      -1.138000    
 N   -1.131800      -1.089100     -0.2480000    
 N   -1.246000      -1.942500      0.7481000    
 C    1.279000     -0.6270000     -0.2409000    
 C  -0.1163000     -6.4900003E-02  1.1500000E-02
 C    2.358200      0.4094000      4.1900001E-02
 C   -2.397700     -0.4598000     -0.6763000    
 C    4.710100      0.6373000      1.6100001E-02
 C   -4.062700       1.134300     -8.2400002E-02
 C    5.976900     -0.1098000     -0.2722000    
 C   -4.482200       2.062200       1.017000    
 H    1.372200     -0.9727000      -1.278700    
 H    1.470800      -1.508000      0.3852000    
 H  -0.1990000      0.3465000       1.027500    
 H  -0.2472000      0.7825000     -0.6757000    
 H    2.226900       1.277100     -0.6153000    
 H    2.298400      0.7379000       1.086300    
 H   -2.228700      6.6200003E-02  -1.625300    
 H   -3.156500      -1.229800     -0.8720000    
 H    5.987800     -0.4311000      -1.316700    
 H    6.059900     -0.9700000      0.3966000    
 H    6.833500      0.5487000     -0.1013000    
 H   -4.696100       1.490400       1.923400    
 H   -3.695100       2.797700       1.202000    
 H   -5.390500       2.592800      0.7170000    


%chk=000050974-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050974

0 1
O 3.167489 0.109613 -0.537677
O -3.190761 0.046243 -0.013435
O -2.665846 -2.995728 1.596690
O 4.597939 1.521887 0.641515
O -1.658207 1.589695 -0.868130
N -1.347631 -1.284965 0.896796
N -1.624446 -2.298944 1.841197
C 0.945388 -0.563457 0.134823
C -0.159290 -0.466055 1.210626
C 2.164463 0.261597 0.553056
C -2.199350 -1.053312 -0.253484
C 4.369695 0.811293 -0.362446
C -2.791405 1.340018 -0.398030
C 5.298456 0.566011 -1.531067
C -3.914357 2.322668 -0.167385
H 0.573999 -0.173830 -0.829925
H 1.242904 -1.618450 -0.006317
H 0.204859 -0.839120 2.184765
H -0.463432 0.589753 1.336110
H 1.923983 1.334952 0.667328
H 2.613239 -0.094853 1.499216
H -1.593313 -0.793445 -1.135006
H -2.825631 -1.945425 -0.403015
H 4.787671 0.795156 -2.481560
H 5.590956 -0.498334 -1.563442
H 6.197212 1.190229 -1.426203
H -4.769724 2.075133 -0.820285
H -4.271112 2.257287 0.874385
H -3.567549 3.342480 -0.386202


