%chk=000006698.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006698

0 1
 O  -0.4153000       1.480000      0.2014000    
 O   -3.997900      -2.451900     -0.3079000    
 O    4.349700       2.789900      -1.119300    
 O    2.695700       1.552900      -2.068600    
 N    1.582500     -0.1107000     -0.1401000    
 N   -2.230600       3.271000      0.5739000    
 C  -0.7952000     -0.8083000     -0.1633000    
 C   -1.731400      -1.835700     -0.2976000    
 C   -2.681600      0.8647000      0.1902000    
 C   -3.617900     -0.1627000      5.6200001E-02
 C   0.5720000      -1.092100     -0.2643000    
 C   -1.236000      0.5794000      8.5299999E-02
 C   -3.177000      -1.550400     -0.1924000    
 C   -3.112500       2.175800      0.4261000    
 C   -1.300500      -3.146700     -0.5336000    
 C   0.9972000      -2.400000     -0.4993000    
 C   -4.985000      0.1209000      0.1580000    
 C   6.2899999E-02  -3.425100     -0.6338000    
 C    2.908100     -0.1653000      0.3252000    
 C   -4.475900       2.454000      0.5270000    
 C   -5.410100       1.428700      0.3931000    
 C    3.887700      0.6958000     -0.1796000    
 C    3.251200      -1.097000       1.309800    
 C    5.197200      0.6257000      0.2960000    
 C    4.560600      -1.166900       1.785300    
 C    5.533600     -0.3057000       1.278400    
 C    3.568500       1.679900      -1.206100    
 H   -2.009000      -3.963200     -0.6437000    
 H    2.047000      -2.654100     -0.6175000    
 H    1.296000      0.8078000     -0.4631000    
 H   -5.733400     -0.6607000      5.7500001E-02
 H   0.3957000      -4.441300     -0.8246000    
 H   -4.827900       3.466500      0.7100000    
 H   -6.471100       1.647800      0.4720000    
 H    2.512000      -1.762900       1.747000    
 H   -1.230800       3.143300      0.5116000    
 H   -2.600900       4.197200      0.7424000    
 H    5.981700       1.273100     -8.7300003E-02
 H    4.821700      -1.887800       2.554500    
 H    6.553400     -0.3616000       1.647700    
 H    4.128500       3.447300      -1.813100    


%chk=000006698-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006698

0 1
O -0.412608 1.617489 0.015187
O -4.040315 -2.533816 -0.209492
O 4.664785 2.652909 -1.369121
O 2.380888 2.341349 -1.149576
N 1.584779 -0.055337 -0.042307
N -2.332903 3.326159 0.343840
C -0.786742 -0.757751 -0.124788
C -1.733101 -1.828387 -0.232165
C -2.707836 0.902650 0.134030
C -3.659607 -0.167184 0.071762
C 0.625697 -1.070155 -0.164119
C -1.268922 0.633838 0.015347
C -3.205085 -1.574190 -0.131917
C -3.195013 2.256429 0.300859
C -1.313764 -3.160808 -0.421825
C 1.015864 -2.424334 -0.405719
C -5.042013 0.075022 0.186305
C 0.063798 -3.447615 -0.531892
C 2.930491 -0.196728 0.337462
C -4.607867 2.471027 0.423223
C -5.508773 1.400263 0.368169
C 3.918386 0.776848 -0.060074
C 3.355716 -1.267967 1.181667
C 5.272037 0.616932 0.349368
C 4.695951 -1.397629 1.579466
C 5.672415 -0.461751 1.153081
C 3.548570 1.947836 -0.880456
H -2.078177 -3.939158 -0.497047
H 2.075754 -2.657055 -0.535661
H 1.217751 0.907488 -0.211644
H -5.726576 -0.775605 0.128617
H 0.399126 -4.471162 -0.730100
H -4.974994 3.495730 0.557621
H -6.582883 1.593180 0.462203
H 2.612035 -1.973052 1.561912
H -1.327470 3.116169 0.228530
H -2.689963 4.271939 0.460061
H 5.995969 1.366953 0.020500
H 4.978926 -2.223483 2.241819
H 6.717155 -0.566942 1.460772
H 4.331419 3.431499 -1.890500


