%chk=000048404.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048404

0 1
 O  -0.4697000     -0.3159000       2.350100    
 O  -0.8173000     -0.4992000      -2.427400    
 O   -1.774200      -4.137800      0.1869000    
 N   -1.153400      -2.197000       1.242600    
 N   -1.326100      -2.285900      -1.092500    
 C  -0.8252000     -0.1051000     -3.7099998E-02
 C    2.917400      0.1262000     -0.4513000    
 C    4.064600     -0.8425000     -0.5742000    
 C    3.302200       1.581800     -0.5020000    
 C    5.155900     -0.5231000      0.4486000    
 C    4.396900       1.888900      0.5209000    
 C    5.589800      0.9420000      0.3790000    
 C   0.4853000      0.6562000     -0.1621000    
 C    1.649400     -0.2774000     -0.2877000    
 C   -1.956200      0.8836000      7.7999998E-03
 C  -0.7830000     -0.8651000       1.291800    
 C  -0.9721000     -0.9642000      -1.296100    
 C   -3.256100      0.4310000      0.1953000    
 C   -1.688900       2.238900     -0.1391000    
 C   -1.447400      -2.951600      0.1175000    
 C   -4.306000       1.348600      0.2367000    
 C   -2.738700       3.156500     -9.7700000E-02
 C   -4.047200       2.711300      9.0200000E-02
 H    3.734500      -1.878800     -0.4370000    
 H    4.478900     -0.7731000      -1.587700    
 H    3.674800       1.806400      -1.509600    
 H    2.465800       2.264200     -0.3267000    
 H    6.022500      -1.171300      0.2759000    
 H    4.788300     -0.7443000       1.458700    
 H    3.985800       1.805700       1.535100    
 H    4.735200       2.924000      0.3977000    
 H    6.320200       1.148100       1.169300    
 H    6.091800       1.128600     -0.5784000    
 H   0.6650000       1.297500      0.7122000    
 H   0.5055000       1.267100      -1.075900    
 H    1.468800      -1.348800     -0.2429000    
 H   -1.184900      -2.687600       2.132100    
 H   -1.484800      -2.842100      -1.928000    
 H   -3.482500     -0.6249000      0.3083000    
 H  -0.7102000       2.679300     -0.2807000    
 H   -5.325000       1.002100      0.3822000    
 H   -2.538800       4.218300     -0.2098000    
 H   -4.864400       3.425800      0.1227000    


%chk=000048404-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000048404

0 1
O -1.029589 -1.494489 2.100996
O 0.219873 0.472894 -2.109354
O -1.901342 -3.647762 -1.913977
N -1.529915 -2.489999 0.083674
N -0.915552 -1.527810 -1.978433
C -0.758592 -0.097111 0.085400
C 2.889403 -0.048088 0.216151
C 4.065001 -0.991388 0.447108
C 3.206423 1.095161 -0.735568
C 5.327753 -0.215563 0.917302
C 4.470630 1.873356 -0.269830
C 5.676329 0.925545 -0.067093
C 0.457862 0.618199 0.785312
C 1.704127 -0.240383 0.865396
C -2.007694 0.849377 0.139204
C -1.086973 -1.395847 0.848202
C -0.416612 -0.346905 -1.398874
C -3.005948 0.700817 1.136445
C -2.104354 1.937425 -0.768549
C -1.491822 -2.623463 -1.315428
C -4.084336 1.610834 1.211358
C -3.183262 2.844175 -0.687912
C -4.181201 2.684628 0.299709
H 3.798037 -1.774454 1.181142
H 4.313372 -1.504470 -0.507135
H 3.408378 0.671484 -1.742390
H 2.351665 1.780432 -0.857490
H 6.181108 -0.913982 1.017418
H 5.135585 0.212514 1.921724
H 4.247033 2.389413 0.685801
H 4.717388 2.656363 -1.012753
H 6.552786 1.493911 0.300089
H 5.964315 0.487502 -1.045807
H 0.115394 0.879518 1.803518
H 0.639469 1.556041 0.236332
H 1.630684 -1.097405 1.552324
H -1.853080 -3.315303 0.599276
H -0.789024 -1.636228 -2.990053
H -2.943408 -0.106510 1.872041
H -1.337872 2.080890 -1.536909
H -4.845661 1.479012 1.988161
H -3.240746 3.676331 -1.398282
H -5.019131 3.387736 0.359455


