%chk=000017147.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017147

0 1
 O    4.861400       2.160200       1.183700    
 O    4.113300      -2.579900      -1.348700    
 N    3.707800     -0.1051000     -4.8500001E-02
 N   -1.837800      0.5839000      0.2856000    
 N   -2.422400     -0.4070000     -0.2121000    
 C    4.522800      0.8419000     -0.7834000    
 C    4.348900      -1.226500      0.6093000    
 C    2.311200      6.9799997E-02  3.6800001E-02
 C    4.422900       2.228100     -0.1669000    
 C    3.838400      -2.542900      4.5499999E-02
 C    1.622500      0.6973000      -1.001200    
 C    1.618100     -0.3861000       1.158100    
 C   0.2407000      0.8689000     -0.9181000    
 C   0.2363000     -0.2146000       1.241300    
 C  -0.4454000      0.4121000      0.2028000    
 C   -3.807700     -0.2367000     -0.1296000    
 C   -4.496500      0.3895000      -1.168500    
 C   -4.500900     -0.6928000      0.9915000    
 C   -5.878600      0.5595000      -1.086200    
 C   -5.883000     -0.5229000       1.073700    
 C   -6.571800      0.1033000      3.4899998E-02
 H    4.255500      0.8646000      -1.845300    
 H    5.575700      0.5346000     -0.7560000    
 H    4.212300      -1.186700       1.695500    
 H    5.434300      -1.186400      0.4540000    
 H    3.413700       2.648100     -0.1853000    
 H    5.080600       2.922400     -0.6989000    
 H    2.764400      -2.688900      0.1842000    
 H    4.350900      -3.386200      0.5195000    
 H    2.118600       1.051000      -1.899400    
 H    2.115100     -0.8631000       1.996700    
 H  -0.2890000       1.355800      -1.732700    
 H  -0.2960000     -0.5687000       2.120100    
 H    4.259700       1.561400       1.657700    
 H    5.075100      -2.492600      -1.462400    
 H   -3.965400      0.7478000      -2.046600    
 H   -3.973300      -1.182600       1.805800    
 H   -6.415000       1.047000      -1.895100    
 H   -6.422800     -0.8783000       1.946600    
 H   -7.647900      0.2355000      9.8899998E-02


%chk=000017147-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017147

0 1
O 5.503343 1.258301 1.931041
O 5.326810 -1.749476 -2.004492
N 3.659159 -0.094049 0.012102
N -1.990708 0.610148 -0.089544
N -2.758451 -0.434068 0.133152
C 4.554497 1.023810 -0.359931
C 4.290614 -1.405740 0.252990
C 2.265342 0.048262 -0.020355
C 4.852702 1.973085 0.820974
C 4.396867 -2.298592 -1.005835
C 1.652277 1.321162 -0.268249
C 1.391197 -1.072449 0.205075
C 0.257835 1.456424 -0.285685
C 0.000845 -0.925813 0.194183
C -0.597247 0.345512 -0.051561
C -4.163008 -0.153474 0.090034
C -5.010663 -1.267431 0.332248
C -4.735411 1.125258 -0.171866
C -6.412590 -1.111547 0.314783
C -6.135090 1.272100 -0.187623
C -6.980047 0.158292 0.054879
H 4.134118 1.589490 -1.213208
H 5.503433 0.588653 -0.713235
H 3.731461 -1.951354 1.037145
H 5.303542 -1.224691 0.659291
H 3.931420 2.481205 1.170122
H 5.582149 2.738205 0.505517
H 3.426715 -2.349427 -1.525141
H 4.694457 -3.326484 -0.703955
H 2.265174 2.208508 -0.444805
H 1.804792 -2.070037 0.377965
H -0.205982 2.430314 -0.475944
H -0.655841 -1.784663 0.365242
H 4.824345 0.685885 2.370632
H 6.255664 -1.855127 -1.675570
H -4.544090 -2.238399 0.529913
H -4.065972 1.970888 -0.356775
H -7.060919 -1.974663 0.502395
H -6.577213 2.254782 -0.389225
H -8.068825 0.281900 0.040615


