%chk=000005843.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005843

0 1
 O  -0.4210000      -1.945800      -1.139600    
 O   0.4856000       2.562100     -0.4272000    
 O    3.633500     -0.6299000      0.5292000    
 N    1.550400      -1.308200     -0.1685000    
 N    2.017700      0.9640000      0.1597000    
 C  -0.3292000      0.2797000     -0.1400000    
 C  -0.7839000      0.1880000       1.340800    
 C   -1.513900      0.6878000      -1.052000    
 C   -2.071200     -0.6095000       1.540300    
 C   -2.818900     -6.9600001E-02 -0.7962000    
 C   -3.201500     -6.9600001E-02  0.6766000    
 C   0.2366000      -1.085800     -0.5564000    
 C   0.7396000       1.383100     -0.1825000    
 C    2.476300     -0.3464000      0.2158000    
 H  -0.9421000       1.200200       1.738700    
 H   1.5000000E-03 -0.2583000       1.964000    
 H   -1.232200      0.5679000      -2.106200    
 H   -1.736400       1.755100     -0.9216000    
 H   -2.365500     -0.5654000       2.595200    
 H   -1.897000      -1.666300       1.306300    
 H   -2.737900      -1.101900      -1.152400    
 H   -3.623600      0.3914000      -1.381200    
 H   -4.101700     -0.6771000      0.8235000    
 H   -3.450400      0.9511000      0.9917000    
 H    1.904300      -2.254200     -0.2804000    
 H    2.714100       1.691400      0.2955000    


%chk=000005843-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005843

0 1
O -0.483137 -2.103610 -0.751039
O 0.465765 2.599162 -0.061385
O 3.820798 -0.605076 0.097482
N 1.617611 -1.318473 -0.232461
N 2.093240 0.970950 0.056693
C -0.324236 0.265782 -0.064553
C -0.878078 0.215307 1.426410
C -1.474813 0.687011 -1.038388
C -2.173215 -0.611821 1.557884
C -2.800262 -0.086033 -0.849026
C -3.274988 -0.067794 0.621220
C 0.227744 -1.126416 -0.399516
C 0.748894 1.373762 -0.052323
C 2.598908 -0.338667 -0.009380
H -1.081319 1.264532 1.716760
H -0.090746 -0.170923 2.102959
H -1.122237 0.580867 -2.082206
H -1.645384 1.765562 -0.863440
H -2.506810 -0.570110 2.612819
H -1.976982 -1.674052 1.319083
H -2.672744 -1.131164 -1.179893
H -3.566273 0.377413 -1.500494
H -4.195320 -0.671948 0.727914
H -3.531062 0.969991 0.920206
H 1.965650 -2.274587 -0.360980
H 2.792196 1.714134 0.158752


