%chk=000085793.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085793

0 1
 O    1.158300      0.3021000      0.2037000    
 O   -1.749900       3.566600     -0.5014000    
 O   -3.898800       3.120200      3.9700001E-02
 O  -0.5784000     -0.5849000       1.417000    
 N  -0.9097000       1.120600     -0.1212000    
 N   -3.678400      -1.408700      0.6801000    
 N   -2.999100      -3.270700     -0.3218000    
 C   -2.333600       1.275700      4.0600002E-02
 C   -3.104600      0.3882000     -0.9461000    
 C   -3.154000      -1.056900     -0.5072000    
 C   -2.749100       2.729400     -0.1331000    
 C   -2.739700      -2.184100      -1.119200    
 C  -0.1517000      0.2038000      0.5801000    
 C    2.064100     -0.5957000      0.8551000    
 C   -3.564000      -2.769100      0.7540000    
 C    3.450000     -0.3587000      0.3314000    
 C    3.897800      -1.068800     -0.7771000    
 C    4.274000      0.5691000      0.9587000    
 C    5.186100     -0.8484000      -1.264300    
 C    5.562200      0.7895000      0.4713000    
 C    6.018300      8.0700003E-02 -0.6402000    
 H   -2.574400       1.025800       1.081200    
 H   -2.657300      0.4529000      -1.946700    
 H   -4.141400      0.7345000      -1.048700    
 H  -0.4326000       1.708200     -0.7987000    
 H   -4.084300     -0.8033000       1.382000    
 H   -2.268200      -2.297700      -2.084400    
 H    1.758500      -1.632100      0.6644000    
 H    2.034600     -0.4290000       1.939200    
 H   -3.910200      -3.328700       1.611300    
 H    3.257200      -1.793200      -1.272400    
 H    3.928300       1.128300       1.823700    
 H   -2.064200       4.490200     -0.6040000    
 H    5.541000      -1.399800      -2.130200    
 H    6.210200       1.513500      0.9567000    
 H    7.021200      0.2525000      -1.019800    


%chk=000085793-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085793

0 1
O 1.143175 0.337340 0.269558
O -1.766213 3.428087 -1.032391
O -3.688730 3.408553 0.278341
O -0.634110 -0.261279 1.694419
N -0.959603 1.045616 -0.225986
N -2.758505 -1.660437 0.461314
N -3.616105 -3.272156 -0.881874
C -2.370206 1.334601 0.043536
C -3.392384 0.503820 -0.805499
C -3.308092 -0.993605 -0.645267
C -2.693104 2.814303 -0.177872
C -3.833460 -2.009188 -1.455058
C -0.191630 0.330828 0.660663
C 2.067103 -0.485908 1.134199
C -2.955400 -3.022831 0.267853
C 3.456840 -0.339443 0.569866
C 3.901254 -1.192081 -0.472333
C 4.336294 0.652669 1.071222
C 5.200258 -1.052409 -1.008326
C 5.636943 0.794365 0.538260
C 6.071019 -0.058186 -0.503451
H -2.553696 1.120781 1.112801
H -3.260995 0.755823 -1.874824
H -4.399370 0.864097 -0.513925
H -0.499553 1.506225 -1.013860
H -2.167429 -1.229382 1.192253
H -4.358042 -1.907741 -2.403306
H 1.705145 -1.528689 1.106896
H 1.983933 -0.109135 2.168078
H -2.605239 -3.776567 0.968866
H 3.227182 -1.962620 -0.865530
H 4.000804 1.315535 1.878057
H -2.024364 4.376054 -1.188445
H 5.534244 -1.716643 -1.812880
H 6.309698 1.562966 0.934272
H 7.080540 0.048636 -0.915928


