%chk=000079653.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079653

0 1
 O   0.3190000       2.083100     -0.5386000    
 O   -5.129300     -0.9684000      0.2707000    
 N    3.726100     -0.2986000      0.2167000    
 C    2.639000      0.6323000     -8.4500000E-02
 C    1.276700     -4.2300001E-02  7.5700000E-02
 C    5.021900      0.3608000      5.9200000E-02
 C    3.643900      -1.476900     -0.6457000    
 C   0.1283000      0.9148000     -0.2087000    
 C    5.125000       1.588200      0.9487000    
 C    4.729800      -2.483300     -0.3051000    
 C   -1.271800      0.4131000     -8.0600001E-02
 C   -1.471600     -0.8969000      0.2902000    
 C   -2.308400       1.280500     -0.3386000    
 C   -2.780000      -1.365600      0.4094000    
 C   -3.616900      0.8120000     -0.2192000    
 C   -3.852700     -0.5111000      0.1546000    
 C   -6.178700     -4.1600000E-02 -4.3000001E-03
 H    2.736100       1.043300      -1.098500    
 H    2.643700       1.479000      0.6107000    
 H    1.152800     -0.8481000     -0.6534000    
 H    1.178100     -0.4263000       1.097200    
 H    5.833000     -0.3029000      0.3761000    
 H    5.214200      0.6447000     -0.9832000    
 H    2.713300      -2.025900     -0.4793000    
 H    3.695000      -1.216000      -1.710000    
 H    4.549700       2.435400      0.5628000    
 H    4.806500       1.376000       1.975100    
 H    6.169000       1.918900      0.9950000    
 H    5.716100      -2.171300     -0.6622000    
 H    4.784700      -2.673600      0.7724000    
 H    4.511000      -3.439600     -0.7939000    
 H  -0.6705000      -1.596700      0.4975000    
 H   -2.145900       2.313300     -0.6308000    
 H   -2.958200      -2.397200      0.7008000    
 H   -4.403000       1.528600     -0.4316000    
 H   -6.173300      0.7941000      0.7037000    
 H   -7.125200     -0.5739000      0.1367000    
 H   -6.154300      0.2964000      -1.045800    


%chk=000079653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079653

0 1
O 0.323881 2.004372 -1.140819
O -5.190013 -0.862457 0.643092
N 3.806485 -0.252532 -0.089021
C 2.679985 0.586952 -0.579979
C 1.317033 0.001848 -0.166695
C 5.038377 0.543093 0.170214
C 4.058975 -1.428158 -0.967236
C 0.134304 0.888527 -0.563461
C 4.958587 1.361843 1.473018
C 4.751206 -2.592431 -0.232717
C -1.252190 0.419877 -0.245357
C -1.520713 -0.811259 0.420650
C -2.351166 1.238033 -0.618951
C -2.837207 -1.207303 0.700803
C -3.677355 0.856724 -0.346392
C -3.921893 -0.375089 0.317868
C -6.354331 -0.046497 0.278765
H 2.711384 0.728281 -1.686550
H 2.768753 1.596911 -0.145687
H 1.173513 -1.007759 -0.602330
H 1.316005 -0.145586 0.932044
H 5.884817 -0.162886 0.252607
H 5.274152 1.220862 -0.689492
H 3.082032 -1.784446 -1.344563
H 4.655218 -1.140934 -1.871220
H 4.141803 2.105655 1.444062
H 4.777891 0.690816 2.330860
H 5.903728 1.911031 1.643190
H 5.748280 -2.305855 0.147725
H 4.139940 -2.912994 0.628925
H 4.888377 -3.453676 -0.913328
H -0.697368 -1.464927 0.726317
H -2.133326 2.183012 -1.128386
H -3.057047 -2.148957 1.212488
H -4.501925 1.509857 -0.646782
H -6.327173 0.937496 0.784617
H -7.224535 -0.620693 0.627804
H -6.415380 0.097550 -0.816882


