%chk=000050379.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050379

0 1
 O   -2.897300      -1.297600     -0.1788000    
 O    5.448700     -0.7363000      0.8362000    
 O   0.2041000       1.927100      8.6800002E-02
 N    2.278600      0.3181000     -0.7080000    
 N   0.9779000     -0.1460000     -0.5701000    
 N   -1.535400      -1.098300     -0.3700000    
 C    3.174800     -0.4370000      0.1571000    
 C   -1.362400      0.1733000     -6.8700001E-02
 C    4.614000      1.2900000E-02 -3.7200000E-02
 C  -8.9999996E-03  0.7407000     -0.1623000    
 C   -2.512000      0.8430000      0.3115000    
 C   -3.467900     -0.1344000      0.2268000    
 C   -4.914200     -0.1654000      0.4767000    
 H    3.102200      -1.513100     -4.8900001E-02
 H    2.895000     -0.3036000       1.210000    
 H    2.541300      0.1758000      -1.682700    
 H    4.734000       1.073300      0.2071000    
 H    4.955300     -0.1459000      -1.065600    
 H   0.7826000      -1.116800     -0.7955000    
 H   -2.651300       1.872800      0.6053000    
 H   -5.153900     -0.8904000       1.260600    
 H   -5.280800      0.8145000      0.7981000    
 H   -5.455800     -0.4485000     -0.4312000    
 H    5.365000      -1.673500      0.5906000    


%chk=000050379-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050379

0 1
O -3.035340 -1.335642 -0.198684
O 5.584650 -0.577723 0.943401
O 0.263188 1.907656 0.054677
N 2.322119 0.088310 -0.820844
N 0.960990 -0.226340 -0.696701
N -1.602572 -1.172276 -0.441348
C 3.241650 -0.600279 0.103534
C -1.355014 0.124825 -0.131362
C 4.617165 0.098085 0.071136
C 0.031706 0.705095 -0.241085
C -2.532291 0.826008 0.297492
C -3.556816 -0.103720 0.246209
C -5.019086 -0.074777 0.548197
H 3.371147 -1.689121 -0.129402
H 2.825974 -0.527477 1.122634
H 2.628225 0.144017 -1.798973
H 4.527901 1.119192 0.470013
H 4.996850 0.160151 -0.973754
H 0.618810 -1.184056 -0.873849
H -2.576260 1.869221 0.595595
H -5.275618 -0.800450 1.340708
H -5.315042 0.930627 0.886434
H -5.614878 -0.333249 -0.345516
H 5.726041 -1.503378 0.619286


