%chk=000050484.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050484

0 1
 O   -4.082900       1.401200      0.9914000    
 O    3.690100       2.748400      0.1456000    
 N   -2.164400     -0.1100000     -0.4705000    
 N    1.185800      -3.092100      0.3014000    
 C   -1.693300      -1.340100      -1.103600    
 C   -2.360800     -0.3079000      0.9724000    
 C   -3.414700      0.3500000      -1.090400    
 C  -0.3816000      -1.801300     -0.5259000    
 C   -2.864400      0.9845000       1.608800    
 C   -3.892500       1.627400     -0.4057000    
 C   0.7307000     -0.9823000     -0.2634000    
 C    1.715400      -1.821900      0.2618000    
 C  -9.6199997E-02  -3.084300     -0.1790000    
 C    1.017800      0.3891000     -0.4127000    
 C    2.977900      -1.356800      0.6467000    
 C    2.276500      0.8685000     -3.1800002E-02
 C    3.240000      7.1999999E-03  0.4894000    
 C    2.580700       2.283100     -0.1826000    
 C    1.536200       3.237100     -0.7515000    
 H   -1.535500      -1.166400      -2.176200    
 H   -2.441500      -2.139400      -1.014900    
 H   -1.436900     -0.5840000       1.489500    
 H   -3.095000      -1.105600       1.147800    
 H   -4.190200     -0.4221000      -1.002700    
 H   -3.258100      0.5553000      -2.155600    
 H   -3.070200      0.8215000       2.671600    
 H   -2.121700       1.788400       1.533900    
 H   -3.184500       2.452700     -0.5499000    
 H   -4.854000       1.938700     -0.8264000    
 H  -0.6729000      -3.997700     -0.2235000    
 H    1.673500      -3.911100      0.6369000    
 H   0.2607000       1.041600     -0.8316000    
 H    3.728400      -2.026700       1.052500    
 H    4.219300      0.3756000      0.7865000    
 H   0.6501000       3.254500     -0.1115000    
 H    1.280600       2.952000      -1.775400    
 H    1.953000       4.249000     -0.7772000    


%chk=000050484-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050484

0 1
O -4.214564 1.492916 0.970811
O 3.839494 2.764698 0.060874
N -2.261437 -0.161403 -0.397539
N 1.286853 -3.141286 0.329344
C -1.714035 -1.376148 -1.060534
C -2.579086 -0.376948 1.037665
C -3.445625 0.379510 -1.112389
C -0.396040 -1.817325 -0.476671
C -3.038440 0.945206 1.670403
C -3.894243 1.693573 -0.451498
C 0.782585 -0.992871 -0.249898
C 1.820700 -1.853943 0.256239
C -0.048581 -3.115010 -0.109070
C 1.049680 0.387175 -0.413524
C 3.109268 -1.369068 0.586417
C 2.334063 0.886394 -0.088623
C 3.349929 0.000008 0.406515
C 2.682114 2.336302 -0.235188
C 1.617231 3.303151 -0.751419
H -1.582734 -1.118838 -2.131563
H -2.437997 -2.231123 -1.023547
H -1.672969 -0.741944 1.554275
H -3.383585 -1.145500 1.163032
H -4.299822 -0.344286 -1.101333
H -3.174137 0.570998 -2.168580
H -3.360197 0.799033 2.714503
H -2.205606 1.680532 1.634824
H -3.086045 2.450922 -0.550231
H -4.820142 2.076702 -0.911484
H -0.649541 -4.022498 -0.129940
H 1.783288 -3.968529 0.652933
H 0.248841 1.041585 -0.768730
H 3.892268 -2.032245 0.970130
H 4.324911 0.437872 0.644109
H 0.725006 3.300675 -0.097862
H 1.282997 3.019553 -1.766794
H 2.040997 4.318262 -0.781454


