%chk=000094791.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094791

0 1
 O    3.101400      -1.676000     -2.3200000E-02
 O   -3.116600       1.691600     -2.1500001E-02
 N    4.382900      0.2570000     -4.6999999E-03
 N   -4.390500     -0.2453000     -4.9000001E-03
 C   0.6323000     -0.4459000      3.3000000E-02
 C  -0.6204000      0.4356000      1.4000000E-02
 C    1.906200      0.4017000      3.1800002E-02
 C   -1.912600     -0.3850000      1.2900000E-02
 C    3.172400     -0.4443000     -1.4000000E-03
 C   -3.181800      0.4599000     -3.1999999E-03
 C    5.640000     -0.4804000     -3.5000000E-02
 C    4.516600       1.711900      1.3600000E-02
 C   -5.685000      0.4242000     -2.8500000E-02
 C   -4.444900      -1.705000      1.7000001E-02
 H   0.6174000      -1.090900      0.9202000    
 H   0.6259000      -1.108200     -0.8415000    
 H  -0.6001000       1.082000     -0.8724000    
 H  -0.6128000       1.100900      0.8866000    
 H    1.924800       1.022600      0.9346000    
 H    1.903300       1.052100     -0.8504000    
 H   -1.918300      -1.034500     -0.8695000    
 H   -1.928600      -1.016200      0.9083000    
 H    6.223800     -0.2177000      0.8521000    
 H    6.193200     -0.1958000     -0.9349000    
 H    5.480300      -1.561400     -4.5400001E-02
 H    5.094100       1.996300      0.8983000    
 H    3.560500       2.233500      4.1099999E-02
 H    5.057000       2.021800     -0.8859000    
 H   -5.565600       1.510400     -4.6799999E-02
 H   -6.245600      0.1418000      0.8673000    
 H   -6.229700      0.1096000     -0.9234000    
 H   -3.931500      -2.074200      0.9088000    
 H   -3.951200      -2.097000     -0.8764000    
 H   -5.481900      -2.053400      3.3900000E-02


%chk=000094791-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094791

0 1
O 3.165298 -1.666574 -0.084523
O -3.152351 1.655924 0.094007
N 4.422970 0.287835 -0.029675
N -4.410287 -0.298296 0.037389
C 0.649858 -0.430752 -0.013549
C -0.637215 0.420032 0.017950
C 1.917175 0.446625 -0.005979
C -1.904562 -0.457280 0.009962
C 3.204687 -0.394814 -0.042999
C -3.191972 0.384152 0.050223
C 5.677226 -0.483109 -0.062542
C 4.577947 1.747575 0.016218
C -5.664416 0.472682 0.072958
C -4.565507 -1.757818 -0.012125
H 0.681653 -1.117760 0.853453
H 0.665026 -1.078845 -0.910347
H -0.668708 1.107311 -0.848868
H -0.652605 1.067842 0.914922
H 1.915742 1.090079 0.897605
H 1.895295 1.134646 -0.876019
H -1.904274 -1.098864 -0.894964
H -1.881578 -1.147167 0.878517
H 6.286105 -0.277440 0.839505
H 6.274341 -0.220724 -0.957763
H 5.420822 -1.552775 -0.094850
H 5.141611 2.051763 0.921002
H 3.603559 2.254401 0.033656
H 5.138510 2.107450 -0.869794
H -5.407877 1.542307 0.105957
H -6.260151 0.209523 0.968873
H -6.274708 0.267983 -0.828350
H -5.128336 -2.119354 0.871768
H -3.591240 -2.264876 -0.028178
H -5.127037 -2.059982 -0.918942


