%chk=000178940.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178940

0 1
 O   -2.915200       1.517000      0.3616000    
 O   -3.190400      -1.139000     -0.4061000    
 C    3.147700      0.2698000      8.6000003E-03
 C    2.939200      -1.227600      0.3120000    
 C    1.948500       1.066600      0.5726000    
 C    1.652000      -1.782600     -0.2974000    
 C   0.5969000      0.4593000      0.2787000    
 C   0.4560000     -0.8904000     -8.8699996E-02
 C    3.299700      0.5191000      -1.504700    
 C    4.438200      0.7461000      0.7015000    
 C  -0.5504000       1.252800      0.4359000    
 C  -0.8264000      -1.409600     -0.3249000    
 C   -1.819600      0.7226000      0.2070000    
 C   -1.957400     -0.6080000     -0.1752000    
 C   -3.360300       2.238000     -0.7858000    
 C   -3.858300      -1.734200      0.7048000    
 H    2.902100      -1.372100       1.400900    
 H    3.790900      -1.818600     -4.7699999E-02
 H    1.980000       2.094600      0.1881000    
 H    2.033700       1.131900       1.665900    
 H    1.457100      -2.768200      0.1431000    
 H    1.788200      -1.932300      -1.375400    
 H    4.117800     -8.0399998E-02  -1.919800    
 H    2.391100      0.2726000      -2.062800    
 H    3.525600       1.572500      -1.707100    
 H    5.313300      0.2086000      0.3193000    
 H    4.603800       1.816700      0.5359000    
 H    4.393800      0.5804000       1.783800    
 H  -0.4512000       2.292700      0.7405000    
 H  -0.9415000      -2.447800     -0.6295000    
 H   -3.636000       1.549400      -1.590700    
 H   -2.583300       2.927600      -1.130400    
 H   -4.243300       2.818100     -0.5044000    
 H   -4.828500      -2.104600      0.3627000    
 H   -4.024600     -0.9957000       1.495400    
 H   -3.278700      -2.577500       1.093700    


%chk=000178940-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178940

0 1
O -2.878535 1.565631 0.429159
O -3.167219 -1.206253 -0.491671
C 3.253048 0.271418 0.040466
C 3.054805 -1.255369 0.269032
C 2.051632 1.006105 0.700160
C 1.765844 -1.792938 -0.389414
C 0.686619 0.424423 0.340458
C 0.547214 -0.911936 -0.130762
C 3.318101 0.601419 -1.474061
C 4.568463 0.725693 0.718524
C -0.475129 1.219463 0.501196
C -0.750228 -1.420687 -0.385487
C -1.761081 0.717196 0.225811
C -1.903227 -0.635335 -0.198590
C -3.647324 1.867462 -0.800101
C -4.074302 -1.314428 0.673898
H 3.017456 -1.441236 1.362128
H 3.931786 -1.807940 -0.122800
H 2.080999 2.081723 0.434413
H 2.178817 0.959014 1.803058
H 1.564293 -2.823006 -0.036295
H 1.920905 -1.875688 -1.484969
H 4.102621 0.002802 -1.975157
H 2.357091 0.401261 -1.980199
H 3.558716 1.670642 -1.626542
H 5.445304 0.254074 0.235690
H 4.694297 1.823281 0.649106
H 4.581956 0.449548 1.790479
H -0.395742 2.258979 0.840186
H -0.886126 -2.452760 -0.729522
H -4.012839 0.939407 -1.275907
H -3.016340 2.430315 -1.514415
H -4.491804 2.493436 -0.472865
H -5.013081 -1.731901 0.278286
H -4.251665 -0.323912 1.130682
H -3.644825 -2.002102 1.427427


