%chk=000116191.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116191

0 1
 O  -0.1961000      -1.749100      -2.178700    
 O   0.1414000      -3.497700       2.033800    
 N   2.5500000E-02  -1.298300       1.258500    
 N   3.4499999E-02  -2.955800     -0.2202000    
 C  -1.6500000E-02 -0.5637000     -1.0200000E-02
 C   -1.341400      0.2340000     -0.1110000    
 C    1.320500      0.1864000     -0.1992000    
 C   -1.518100       1.601400      0.1998000    
 C    1.654200       1.310900      0.5823000    
 C  -0.4644000       2.552900      0.7160000    
 C   0.6625000       1.933800       1.521400    
 C  -7.1000002E-02  -1.803900     -0.9601000    
 C   -2.515000     -0.4827000     -0.4790000    
 C    2.315900     -0.2840000      -1.086700    
 C   7.9499997E-02  -2.683400       1.122800    
 C   -2.791900       2.200700      1.8100001E-02
 C    2.917200       1.926400      0.4562000    
 C   -3.765700      0.1206000     -0.6273000    
 C    3.564000      0.3352000      -1.208400    
 C   -3.901800       1.473900     -0.3940000    
 C    3.866600       1.442100     -0.4343000    
 H  -7.3899999E-02   3.131500     -0.1319000    
 H  -0.9559000       3.272700       1.385500    
 H   0.3017000       1.216600       2.263800    
 H    1.152900       2.727800       2.099800    
 H   3.1900000E-02 -0.8497000       2.168600    
 H   -2.482900      -1.554800     -0.6609000    
 H    2.163500      -1.163400      -1.704900    
 H   3.6600001E-02  -3.889400     -0.6143000    
 H   -2.925300       3.262700      0.2205000    
 H    3.163100       2.802400       1.052500    
 H   -4.624200     -0.4737000     -0.9250000    
 H    4.298400     -6.0100000E-02  -1.904200    
 H   -4.864500       1.960500     -0.5117000    
 H    4.833700       1.926800     -0.5223000    


%chk=000116191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116191

0 1
O -0.136428 -1.894623 -2.157878
O 0.129751 -3.416800 2.285290
N 0.013180 -1.227132 1.355029
N 0.040078 -2.951593 -0.060568
C -0.021295 -0.568806 0.008127
C -1.345516 0.236747 -0.159098
C 1.315634 0.192738 -0.234079
C -1.536877 1.595540 0.244885
C 1.688445 1.277624 0.614364
C -0.485919 2.537122 0.836026
C 0.706739 1.904910 1.587852
C -0.052404 -1.852295 -0.907758
C -2.466019 -0.471346 -0.681392
C 2.233228 -0.238985 -1.225389
C 0.071546 -2.607321 1.329894
C -2.827107 2.174263 0.084090
C 2.967812 1.865795 0.468749
C -3.733830 0.119261 -0.829827
C 3.503249 0.363016 -1.365057
C -3.918215 1.465127 -0.448805
C 3.883351 1.413496 -0.505795
H -0.074151 3.168821 0.022052
H -1.009004 3.226989 1.525192
H 0.331018 1.196689 2.351973
H 1.225250 2.701047 2.152206
H 0.005239 -0.717582 2.234969
H -2.351451 -1.511629 -0.997689
H 1.960738 -1.039280 -1.917077
H 0.064090 -3.920445 -0.379863
H -2.967908 3.217159 0.394910
H 3.242021 2.698412 1.128046
H -4.563187 -0.464806 -1.242183
H 4.187480 0.006390 -2.142451
H -4.894361 1.950195 -0.556549
H 4.869825 1.880898 -0.596900


