%chk=000058446.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058446

0 1
 O  -8.5299999E-02 -0.4235000     -0.4347000    
 O    1.515900      -1.198800       1.017900    
 N    5.655900      0.2003000     -0.5228000    
 N    2.053300     -0.5106000      -1.132600    
 C    4.221300      0.4760000     -0.5915000    
 C    6.417700       1.448400     -0.5398000    
 C    5.970500     -0.5743000      0.6770000    
 C    3.469800     -0.7518000      -1.084500    
 C   -2.438400     -0.2106000      7.7000000E-03
 C   -3.553000     -0.3878000       1.037500    
 C    6.095100       2.305100      0.6729000    
 C    7.448300     -0.9228000      0.7336000    
 C   -1.086000     -0.6263000      0.5694000    
 C   -4.899800     -1.9500000E-02  0.4701000    
 C    1.191900     -0.7536000     -7.8199998E-02
 C   -5.365500       1.291300      0.5738000    
 C   -5.680600     -0.9891000     -0.1592000    
 C   -6.611800       1.632500      4.8599999E-02
 C   -6.926900     -0.6479000     -0.6845000    
 C   -7.392500      0.6630000     -0.5806000    
 H    3.810000      0.7971000      0.3744000    
 H    4.017200       1.288000      -1.302900    
 H    7.496000       1.272100     -0.6128000    
 H    6.173500       2.010100      -1.450900    
 H    5.442700      -1.533800      0.6391000    
 H    5.650500     -0.1019000       1.612500    
 H    3.786800      -1.015800      -2.099700    
 H    3.633900      -1.623900     -0.4449000    
 H   -2.387800      0.8331000     -0.3286000    
 H   -2.649500     -0.7982000     -0.8953000    
 H   -3.579100      -1.426600       1.391200    
 H   -3.348500      0.2250000       1.924700    
 H    5.036000       2.562900      0.7599000    
 H    6.435800       1.869200       1.616000    
 H    6.628800       3.258400      0.5753000    
 H    7.804600      -1.333600     -0.2174000    
 H    8.072600     -6.6399999E-02   1.005500    
 H    7.615100      -1.688000       1.500300    
 H    1.660200     -0.1329000      -1.989400    
 H   -1.104600      -1.685200      0.8522000    
 H  -0.8413000     -2.0300001E-02   1.449500    
 H   -4.765500       2.055900       1.060000    
 H   -5.328000      -2.013300     -0.2480000    
 H   -6.974000       2.653200      0.1289000    
 H   -7.534700      -1.402600      -1.175000    
 H   -8.362800      0.9286000     -0.9899000    


%chk=000058446-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058446

0 1
O -0.136866 -0.458715 -0.485425
O 1.516108 -1.396252 0.919792
N 5.670596 0.284130 -0.319161
N 2.032447 -0.452079 -1.172214
C 4.228947 0.575136 -0.490304
C 6.570152 1.417253 -0.650228
C 5.968837 -0.414412 0.958477
C 3.485825 -0.652867 -1.082036
C -2.506179 -0.322967 -0.004031
C -3.661504 -0.654213 0.982562
C 6.523337 2.638030 0.310493
C 7.350858 -1.093690 0.973297
C -1.161142 -0.821462 0.526921
C -5.007307 -0.154323 0.476579
C 1.187186 -0.819977 -0.150749
C -5.459359 1.153770 0.789315
C -5.821548 -0.969302 -0.351773
C -6.689106 1.636842 0.287580
C -7.052176 -0.491457 -0.856546
C -7.490404 0.815091 -0.538781
H 3.728750 0.862615 0.464455
H 4.115624 1.431360 -1.183110
H 7.605868 1.033164 -0.701262
H 6.315730 1.751453 -1.674713
H 5.192555 -1.189108 1.099278
H 5.880435 0.270866 1.838666
H 3.890965 -0.874620 -2.085025
H 3.662528 -1.534694 -0.443386
H -2.456871 0.769932 -0.166792
H -2.710882 -0.786119 -0.987293
H -3.697811 -1.750608 1.137291
H -3.434415 -0.198481 1.966559
H 5.504370 3.063312 0.369137
H 6.838115 2.363694 1.333687
H 7.203251 3.433075 -0.048968
H 7.454480 -1.766987 0.103996
H 8.177099 -0.360338 0.942602
H 7.470515 -1.689498 1.896803
H 1.623338 0.025478 -1.975497
H -1.152328 -1.918764 0.669724
H -0.895904 -0.349515 1.491954
H -4.845498 1.795118 1.434681
H -5.491055 -1.986607 -0.597589
H -7.024049 2.648657 0.543496
H -7.669796 -1.137114 -1.491473
H -8.445917 1.186296 -0.926189


