%chk=000056788.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056788

0 1
 O   -3.010600       1.527900       1.148700    
 O   -5.162500      0.3066000     -0.2703000    
 N  -0.7615000       1.293000     -0.5545000    
 N   -1.894800      0.5034000     -0.6455000    
 N   -3.756300      -1.523700      0.1589000    
 N   -4.738300      -2.477300     -7.7999998E-03
 C    1.686100       1.310700     -0.3001000    
 C   0.4145000      0.4621000     -0.3342000    
 C    2.913900      0.4597000     -9.4899997E-02
 C    3.354300      0.1989000       1.194000    
 C    3.582800     -4.8200000E-02  -1.198400    
 C    4.490200     -0.5880000       1.383700    
 C    4.718600     -0.8354000      -1.008700    
 C    5.172300      -1.105400      0.2824000    
 C   -2.923000      0.7148000      0.2419000    
 C   -4.085800     -0.1990000      4.9000001E-03
 H    1.621400       2.060700      0.4994000    
 H    1.790300       1.880000      -1.233500    
 H   0.3110000     -8.1000000E-02  0.6142000    
 H   0.4986000     -0.2906000      -1.129600    
 H  -0.6717000       1.787000      -1.441800    
 H    2.828800      0.5955000       2.058100    
 H    3.236300      0.1548000      -2.207700    
 H    4.843200     -0.7987000       2.389000    
 H    5.249500      -1.238600      -1.866100    
 H   -1.942000     -0.1953000      -1.381000    
 H    6.056500      -1.718600      0.4302000    
 H   -2.819300      -1.832700      0.3980000    
 H   -4.411000      -3.115900     -0.7314000    
 H   -4.771600      -3.021600      0.8533000    


%chk=000056788-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056788

0 1
O -3.027194 0.683831 1.364628
O -3.689139 -1.636135 -1.325020
N -0.640162 0.951772 -0.301964
N -1.752711 0.123514 -0.558940
N -4.927599 -1.125080 0.602198
N -6.034401 -1.966246 0.328101
C 1.803078 1.258564 -0.080436
C 0.660870 0.247183 -0.348482
C 3.161020 0.571963 -0.068930
C 3.683770 0.030064 1.133629
C 3.912145 0.422119 -1.262944
C 4.924533 -0.646376 1.143772
C 5.153789 -0.253439 -1.257909
C 5.663567 -0.791458 -0.053541
C -2.827313 0.038394 0.295600
C -3.850486 -0.995904 -0.236869
H 1.600341 1.752173 0.887316
H 1.781194 2.044075 -0.862910
H 0.660005 -0.529990 0.436153
H 0.843214 -0.264452 -1.325354
H -0.670064 1.807199 -0.875908
H 3.118094 0.145129 2.066774
H 3.526708 0.844265 -2.199897
H 5.316076 -1.054875 2.082321
H 5.723713 -0.356473 -2.188361
H -1.784263 -0.497968 -1.384839
H 6.626927 -1.313541 -0.047234
H -4.970957 -0.528549 1.435077
H -5.797938 -2.955316 0.490423
H -6.366920 -1.819344 -0.635253


