%chk=000008676.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008676

0 1
 O    5.593300      -1.081700      0.2800000    
 O   -5.552200       1.081900      0.2832000    
 O   -5.564200      -1.034300     -0.3006000    
 N   -4.950000      1.9600000E-02 -6.2000002E-03
 C   0.7063000     -1.7800000E-02  5.4000001E-03
 C  -0.7407000     -8.3999997E-03  4.3000001E-03
 C    1.412000       1.146500     -0.2979000    
 C    1.395300      -1.191700      0.3103000    
 C    3.496000     -3.6899999E-02  8.6000003E-03
 C   -1.430700       1.160400      0.3252000    
 C   -1.445200      -1.168000     -0.3191000    
 C    2.806800       1.136900     -0.2964000    
 C    2.790200      -1.201300      0.3120000    
 C   -3.530200      1.0200000E-02 -6.9999998E-04
 C   -2.825500       1.169600      0.3228000    
 C   -2.840000      -1.158800     -0.3217000    
 C    4.950200     -4.7499999E-02  1.0700000E-02
 C    5.728700       1.221400     -0.3199000    
 H   0.9185000       2.075200     -0.5713000    
 H   0.8890000      -2.113700      0.5828000    
 H  -0.9252000       2.078200      0.6129000    
 H  -0.9509000      -2.092200     -0.6057000    
 H    3.317000       2.062300     -0.5445000    
 H    3.304900      -2.126100      0.5593000    
 H   -3.330400       2.096300      0.5840000    
 H   -3.356000      -2.078500     -0.5857000    
 H    5.501300       2.005000      0.4075000    
 H    5.503500       1.548600      -1.338200    
 H    6.801000       1.008300     -0.2628000    


%chk=000008676-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000008676

0 1
O 5.675458 -1.136302 0.325459
O -5.689037 1.097138 0.315977
O -5.690779 -1.091890 -0.328506
N -5.083673 0.001476 -0.004272
C 0.709758 -0.005663 0.006929
C -0.778096 -0.003788 0.004984
C 1.442353 1.169746 -0.319460
C 1.441476 -1.184174 0.333951
C 3.572978 -0.008353 0.006278
C -1.508521 1.167806 0.357582
C -1.509503 -1.174224 -0.349276
C 2.849955 1.169024 -0.321692
C 2.845504 -1.184563 0.335243
C -3.602157 -0.000677 -0.000596
C -2.913968 1.179085 0.358101
C -2.915088 -1.182152 -0.355655
C 5.077613 -0.062903 0.020843
C 5.864039 1.195143 -0.329038
H 0.906322 2.080292 -0.608108
H 0.903897 -2.093962 0.622222
H -0.969718 2.068848 0.667310
H -0.971338 -2.076912 -0.655069
H 3.382627 2.087778 -0.587947
H 3.413928 -2.083569 0.595577
H -3.483817 2.069315 0.636299
H -3.485550 -2.071526 -0.635350
H 5.618144 2.023714 0.361161
H 5.629844 1.537571 -1.354390
H 6.940151 0.977223 -0.260256


