%chk=000023606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023606

0 1
 O   -4.215800      -1.212300      8.6599998E-02
 O   -4.356200       1.006700      0.5585000    
 N    3.869900     -0.1456000      0.2318000    
 N    1.888600      8.2900003E-02 -0.7047000    
 N    2.505900     -0.1408000      0.3594000    
 C   0.5101000      6.8499997E-02 -0.4691000    
 C   -2.239900      4.0800001E-02 -3.0000001E-04
 C  -0.1497000       1.246400     -0.1183000    
 C  -0.2053000      -1.123500     -0.5855000    
 C   -1.524700       1.232500      0.1161000    
 C   -1.580300      -1.137200     -0.3511000    
 C    4.563500      0.6596000     -0.7588000    
 C    4.607300     -0.6044000       1.391700    
 C   -3.673400      2.6400000E-02  0.2437000    
 H   0.3989000       2.180200     -2.6100000E-02
 H   0.3001000      -2.046100     -0.8593000    
 H   -2.019900       2.161000      0.3881000    
 H   -2.098300      -2.086800     -0.4531000    
 H    5.562100      0.2445000     -0.9241000    
 H    4.649000       1.682500     -0.3824000    
 H    4.031600      0.6559000      -1.713300    
 H    4.007600      -1.326900       1.953200    
 H    4.841600      0.2545000       2.026400    
 H    5.530500      -1.090100       1.064000    
 H   -5.182600      -1.211200      0.2528000    


%chk=000023606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023606

0 1
O -4.259983 -1.338734 0.329051
O -4.603002 0.802616 -0.501080
N 3.973062 -0.162498 0.248154
N 1.904028 0.588445 -0.131857
N 2.644077 -0.424138 0.291139
C 0.503818 0.317904 -0.090213
C -2.321590 0.021962 -0.102460
C -0.331955 1.382528 -0.530912
C -0.093689 -0.903134 0.346429
C -1.728143 1.237513 -0.537312
C -1.489513 -1.044478 0.338637
C 4.506313 1.126191 -0.227144
C 4.860158 -1.236909 0.702042
C -3.797020 -0.087121 -0.126565
H 0.144752 2.310511 -0.862164
H 0.550135 -1.720011 0.684331
H -2.380435 2.049697 -0.874084
H -1.956718 -1.975815 0.671385
H 5.605627 1.092276 -0.172301
H 4.118658 1.955757 0.391569
H 4.181537 1.317684 -1.265907
H 4.232356 -2.087338 1.007269
H 5.471737 -0.909232 1.563839
H 5.539770 -1.560012 -0.109055
H -5.253380 -1.336164 0.283406


