%chk=000131426.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131426

0 1
 O    3.279100      -3.924700      0.8776000    
 O   -5.780300      0.9309000       1.212400    
 C    1.449700     -0.9860000      0.3814000    
 C    1.701300      -2.409300     -0.1872000    
 C   0.2996000     -0.2828000     -0.3817000    
 C  -0.9935000      -1.156600     -9.4499998E-02
 C   0.4666000      -3.266800      6.2500000E-02
 C  -0.7892000      -2.625600     -0.5486000    
 C   -2.294300     -0.4659000     -0.6271000    
 C    2.858300     -0.4006000      0.4767000    
 C    2.925300      -2.779400      0.6300000    
 C    3.682000      -1.547800       1.079800    
 C   4.8799999E-02   1.187400     -5.9799999E-02
 C    2.129000      -2.475300      -1.666300    
 C   -2.395200      0.8814000      9.5200002E-02
 C   -1.184100       1.681700      0.1653000    
 C   -2.248300     -0.2319000      -2.156100    
 C   -3.534700      -1.311600     -0.3792000    
 C    1.153300       2.132300     -7.3500000E-02
 C   -3.517600       1.330600      0.6795000    
 C   -4.648100     -0.8831000      0.2245000    
 C   -4.737300      0.4977000      0.7344000    
 C    1.836400       2.425400       1.107500    
 C    1.531800       2.747200      -1.267600    
 C    2.896000       3.332300       1.094600    
 C    2.591700       3.654100      -1.280400    
 C    3.273800       3.946600     -9.9299997E-02
 H    1.114900      -1.081000       1.429000    
 H   0.5190000     -0.3178000      -1.455500    
 H   -1.106500      -1.210800       1.002400    
 H   0.3136000      -3.401300       1.141500    
 H   0.6028000      -4.274700     -0.3485000    
 H  -0.7371000      -2.678700      -1.641100    
 H   -1.641300      -3.242600     -0.2454000    
 H    2.964100      0.4193000       1.174700    
 H    3.250300     -9.6299998E-02 -0.4988000    
 H    3.676000      -1.510500       2.173200    
 H    4.704400      -1.553000      0.6958000    
 H    2.354000      -3.510700      -1.950100    
 H    1.355700      -2.114700      -2.349400    
 H    3.038200      -1.897800      -1.864200    
 H   -1.311600       2.734300      0.4139000    
 H   -1.413300      0.4046000      -2.465600    
 H   -2.160100      -1.175800      -2.706100    
 H   -3.163200      0.2619000      -2.508800    
 H   -3.549100      -2.323300     -0.7770000    
 H   -3.567100       2.294800       1.176100    
 H   -5.514400      -1.525200      0.3326000    
 H    1.539500       1.974300       2.052000    
 H    1.011200       2.528800      -2.197100    
 H    3.423700       3.564100       2.015100    
 H    2.886000       4.132300      -2.210100    
 H    4.098200       4.653500     -0.1092000    


%chk=000131426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131426

0 1
O 3.273554 -4.125251 0.689918
O -5.862467 0.775767 1.504775
C 1.456763 -1.039180 0.358767
C 1.700377 -2.449940 -0.275796
C 0.290282 -0.298012 -0.371012
C -0.983308 -1.186539 -0.115739
C 0.441772 -3.330005 -0.136652
C -0.804354 -2.607605 -0.714956
C -2.313805 -0.449653 -0.533279
C 2.890693 -0.463590 0.537306
C 2.933589 -2.930379 0.518199
C 3.681825 -1.696094 1.057957
C 0.072161 1.159584 0.045389
C 2.171690 -2.395869 -1.764290
C -2.392925 0.813331 0.326866
C -1.174699 1.609582 0.418931
C -2.278766 -0.026737 -2.047544
C -3.545221 -1.322837 -0.375825
C 1.198289 2.136110 -0.026034
C -3.558852 1.211722 0.944439
C -4.680838 -0.928157 0.266605
C -4.782099 0.392567 0.938807
C 1.406275 3.096028 1.004062
C 2.053985 2.175505 -1.162404
C 2.433943 4.057883 0.903259
C 3.073933 3.144358 -1.269580
C 3.272721 4.088561 -0.235409
H 1.087914 -1.223557 1.394400
H 0.515365 -0.307863 -1.460273
H -1.055580 -1.315187 0.986678
H 0.268078 -3.549733 0.935555
H 0.592133 -4.303649 -0.638669
H -0.737374 -2.551946 -1.819310
H -1.690785 -3.224970 -0.483234
H 2.922423 0.382333 1.242106
H 3.311840 -0.101583 -0.415983
H 3.666838 -1.749285 2.164784
H 4.744675 -1.720901 0.758506
H 2.452299 -3.412991 -2.091470
H 1.371413 -2.035149 -2.433318
H 3.050251 -1.741810 -1.906088
H -1.286526 2.651539 0.746592
H -1.442181 0.664161 -2.247960
H -2.172136 -0.912947 -2.698848
H -3.217087 0.486750 -2.318175
H -3.530844 -2.287956 -0.898858
H -3.601771 2.147074 1.516782
H -5.574458 -1.562106 0.304280
H 0.773037 3.068054 1.898388
H 1.903279 1.461870 -1.980534
H 2.583167 4.779895 1.713865
H 3.710795 3.165841 -2.161053
H 4.068714 4.836864 -0.315424


