%chk=000117909.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117909

0 1
 O   -4.264700      -2.124200     -0.8986000    
 O   -4.227400       2.154200      0.8792000    
 N    2.681600      0.8358000     -0.6633000    
 N   -3.725000      8.5000005E-03 -4.9999999E-03
 N    2.695500     -0.9058000      0.7176000    
 C   0.4963000     -4.5299999E-02  3.5399999E-02
 C    1.939100     -6.3500002E-02  5.0200000E-02
 C   -2.292800     -9.7000003E-03  8.8999998E-03
 C    4.005400      0.5548000     -0.4417000    
 C    3.987700     -0.5358000      0.4232000    
 C  -0.2177000      -1.231400      0.2043000    
 C  -0.1839000       1.158500     -0.1467000    
 C   -1.612400      -1.213600      0.1912000    
 C   -1.578600       1.176400     -0.1600000    
 C    5.181000       1.143200     -0.9095000    
 C    5.205800      -1.085100      0.8578000    
 C   -4.530000      -1.029800     -0.4288000    
 C   -4.511300       1.066900      0.4036000    
 C    6.384200      0.5838000     -0.4669000    
 C    6.398600     -0.5105000      0.4010000    
 C   -5.921200     -0.5835000     -0.2661000    
 C   -5.910100      0.6561000      0.2140000    
 H    2.331600       1.571500      -1.262800    
 H   0.2932000      -2.180000      0.3509000    
 H   0.3419000       2.101500     -0.2737000    
 H   -2.135800      -2.150800      0.3527000    
 H   -2.075000       2.127000     -0.3289000    
 H    5.167100       1.992500      -1.583000    
 H    5.227700      -1.935300       1.532000    
 H    7.325600       1.009500     -0.8054000    
 H    7.349600     -0.9234000      0.7276000    
 H   -6.785100      -1.177600     -0.5126000    
 H   -6.763300       1.272000      0.4441000    


%chk=000117909-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117909

0 1
O -4.226056 -2.330687 -0.448993
O -4.247908 2.307217 0.446394
N 2.768700 1.077436 -0.432426
N -3.789890 -0.008844 -0.004334
N 2.703214 -1.064781 0.352834
C 0.492733 0.027987 -0.045872
C 1.959362 -0.004344 -0.035677
C -2.352034 0.001436 -0.021004
C 4.107038 0.688211 -0.291394
C 4.043272 -0.661904 0.204127
C -0.220330 -1.115202 0.406702
C -0.249421 1.155553 -0.488406
C -1.624218 -1.131846 0.427190
C -1.656392 1.145925 -0.484194
C 5.327936 1.350384 -0.533117
C 5.238052 -1.373266 0.465020
C -4.618567 -1.164710 -0.212326
C -4.629281 1.133513 0.225949
C 6.506892 0.621284 -0.265750
C 6.462540 -0.717928 0.225193
C -6.043018 -0.694116 -0.095406
C -6.049164 0.640566 0.158104
H 2.441949 1.983270 -0.760867
H 0.355212 -1.981353 0.745850
H 0.255382 2.058565 -0.851871
H -2.152259 -2.021983 0.774925
H -2.208083 2.025070 -0.822739
H 5.372671 2.377893 -0.909075
H 5.197704 -2.399814 0.841098
H 7.479781 1.094475 -0.438600
H 7.403513 -1.244289 0.418471
H -6.879623 -1.382585 -0.213204
H -6.892110 1.315767 0.304098


