%chk=000096689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096689

0 1
 O   -1.676700     -7.4699998E-02   2.440900    
 O    2.356900      -2.853900     -0.1417000    
 O    4.042300      -1.517800     -0.5814000    
 N    3.888200      0.9565000     -0.3787000    
 N    2.856000      -1.707300     -0.2244000    
 C  -4.9199998E-02  0.3005000      0.8034000    
 C    2.554000      0.7160000      2.1199999E-02
 C    2.047400     -0.5814000      9.7599998E-02
 C   0.7269000     -0.7922000      0.4945000    
 C   0.4197000       1.591800      0.7385000    
 C   -1.464000      7.5900003E-02   1.228500    
 C    1.740200       1.802600      0.3417000    
 C   -2.565200      3.1700000E-02  0.2799000    
 C   -2.319600      0.2022000      -1.082500    
 C   -3.867300     -0.1807000      0.7326000    
 C   -3.376300      0.1602000      -1.992300    
 C   -4.923900     -0.2228000     -0.1771000    
 C    4.288900       2.145800      -1.061000    
 C   -4.678300     -5.2299999E-02  -1.539600    
 H   0.2987000      -1.788300      0.5657000    
 H  -0.2103000       2.439700      0.9895000    
 H    2.104200       2.825100      0.3025000    
 H    4.540200      0.1831000     -0.3690000    
 H   -1.322500      0.3698000      -1.478300    
 H   -4.085800     -0.3164000       1.788600    
 H   -3.185600      0.2928000      -3.053300    
 H   -5.937900     -0.3882000      0.1751000    
 H    3.648400       2.349600      -1.925600    
 H    5.312900       2.030400      -1.431200    
 H    4.283900       3.013900     -0.3944000    
 H   -5.501000     -8.5199997E-02  -2.247900    


%chk=000096689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096689

0 1
O -1.950961 1.909323 1.706744
O 1.442838 -2.437894 -1.278146
O 3.555257 -1.587917 -1.309269
N 4.014044 0.821993 -0.398516
N 2.271785 -1.478253 -1.034412
C -0.172428 0.986735 0.397765
C 2.670225 0.866389 -0.141718
C 1.781894 -0.238191 -0.446873
C 0.393301 -0.163443 -0.180573
C 0.698844 2.075786 0.726051
C -1.616071 1.099790 0.780590
C 2.063109 2.025511 0.458317
C -2.666055 0.274789 0.092807
C -2.566655 -0.124777 -1.267900
C -3.842903 -0.045299 0.823569
C -3.618244 -0.843163 -1.877830
C -4.884367 -0.774810 0.218097
C 4.949419 1.905831 -0.095281
C -4.773953 -1.177915 -1.135374
H -0.209850 -1.046004 -0.408879
H 0.255305 2.954412 1.206307
H 2.694844 2.881106 0.710925
H 4.338000 -0.062834 -0.823231
H -1.689327 0.154744 -1.860371
H -3.917953 0.294382 1.861841
H -3.537176 -1.137550 -2.929729
H -5.781479 -1.027641 0.793614
H 4.692428 2.835165 -0.639325
H 5.958575 1.594810 -0.406811
H 4.978177 2.133484 0.987833
H -5.585424 -1.742158 -1.608421


