%chk=000173058.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173058

0 1
 O    4.944800     -0.7039000      0.3961000    
 O    3.079600      -2.028500      0.7172000    
 C   0.3245000       1.083000     -0.2172000    
 C    1.326800     -0.1267000     -0.1600000    
 C   -1.084200      0.5150000      0.2349000    
 C    2.854400      0.2107000     -0.1833000    
 C   0.7846000       2.177900      0.7790000    
 C    3.167000       1.368100      0.7877000    
 C   0.9139000      -1.224100      -1.164900    
 C    2.249500       2.570500      0.6137000    
 C   -1.464500     -0.7795000     -0.4803000    
 C   0.2114000       1.713700      -1.627300    
 C   -2.238200       1.534000      0.1348000    
 C  -0.5534000      -1.541100      -1.111900    
 C    3.456300      0.4919000      -1.568200    
 C    3.610900     -0.9842000      0.3645000    
 C   -3.552400      0.9479000      0.6617000    
 C   -2.861000      -1.182900     -0.4317000    
 C   -3.831100     -0.4259000      0.1098000    
 C   -5.252200     -0.8988000      0.1969000    
 C   -5.692400     -0.9812000       1.654500    
 C   -6.176100      1.6200000E-02 -0.6014000    
 C    5.781700      -1.751800      0.8954000    
 H    1.154000     -0.5644000      0.8389000    
 H  -0.9975000      0.2488000       1.300700    
 H   0.6366000       1.825300       1.808400    
 H   0.1700000       3.079500      0.6724000    
 H    4.205300       1.707300      0.6771000    
 H    3.079100       1.016500       1.825700    
 H    1.456300      -2.155200     -0.9792000    
 H    1.155200     -0.9265000      -2.191300    
 H    2.503100       3.325400       1.367700    
 H    2.418200       3.041300     -0.3604000    
 H    1.161300       2.089000      -2.001900    
 H  -0.1845000       1.016900      -2.371600    
 H  -0.4541000       2.584000      -1.617400    
 H   -2.396200       1.836000     -0.9080000    
 H   -2.008800       2.442300      0.7019000    
 H  -0.8605000      -2.451600      -1.621700    
 H    4.521800      0.7462000      -1.510500    
 H    3.385400     -0.3838000      -2.222800    
 H    2.983600       1.330000      -2.076400    
 H   -4.345400       1.658100      0.4113000    
 H   -3.505900      0.8902000       1.756200    
 H   -3.109200      -2.158800     -0.8423000    
 H   -5.332700      -1.906200     -0.2325000    
 H   -5.741800      3.5999999E-03   2.132100    
 H   -5.011700      -1.609300       2.240200    
 H   -6.691800      -1.425200       1.724100    
 H   -5.798500      0.1802000      -1.616800    
 H   -6.324400      0.9914000     -0.1267000    
 H   -7.167600     -0.4427000     -0.6916000    
 H    6.817200      -1.402300      0.8675000    
 H    5.693500      -2.640400      0.2630000    
 H    5.517600      -1.986100       1.931100    


%chk=000173058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173058

0 1
O 5.019309 -0.870922 0.202547
O 3.146724 -1.903923 1.089869
C 0.334640 1.117276 -0.237647
C 1.344784 -0.092245 -0.150868
C -1.051635 0.540288 0.245585
C 2.882568 0.250302 -0.170507
C 0.778988 2.239658 0.748299
C 3.178971 1.426801 0.831037
C 0.965587 -1.197672 -1.167664
C 2.259816 2.640320 0.590943
C -1.441625 -0.750661 -0.485885
C 0.184940 1.701211 -1.669804
C -2.233951 1.544687 0.186535
C -0.508959 -1.525684 -1.120478
C 3.475439 0.589386 -1.566818
C 3.637959 -0.963034 0.422361
C -3.516609 0.926129 0.788972
C -2.855081 -1.149718 -0.443941
C -3.847939 -0.419940 0.155222
C -5.290819 -0.919317 0.199524
C -5.835367 -0.980262 1.652663
C -6.228186 -0.061057 -0.696557
C 5.837024 -1.942547 0.818481
H 1.176386 -0.535833 0.853858
H -0.921183 0.275112 1.320819
H 0.620904 1.885759 1.789866
H 0.136444 3.131147 0.613972
H 4.244537 1.709664 0.744095
H 3.018436 1.067947 1.868909
H 1.552726 -2.111264 -0.948602
H 1.242127 -0.896822 -2.201364
H 2.511643 3.435077 1.320122
H 2.440534 3.071412 -0.412638
H 1.140204 2.068740 -2.078154
H -0.218327 0.950166 -2.371673
H -0.512780 2.558013 -1.662296
H -2.439463 1.820878 -0.865152
H -1.978363 2.472656 0.731779
H -0.835405 -2.446845 -1.625989
H 4.564590 0.736246 -1.485737
H 3.300075 -0.220896 -2.295095
H 3.033369 1.511519 -1.975567
H -4.364503 1.628149 0.663275
H -3.388055 0.801316 1.886014
H -3.108708 -2.113137 -0.911719
H -5.297365 -1.951260 -0.207522
H -5.872076 0.027069 2.108033
H -5.199877 -1.621260 2.290298
H -6.862681 -1.389993 1.664872
H -5.872003 -0.046281 -1.742292
H -6.282835 0.984316 -0.338514
H -7.255688 -0.470877 -0.685121
H 6.873101 -1.694518 0.547826
H 5.544761 -2.927003 0.415907
H 5.700400 -1.948476 1.913121


