%chk=000085456.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085456

0 1
 O    5.980800      0.2548000      8.2999997E-02
 O    3.983600       1.246500      0.1312000    
 O   -2.135000     -6.7299999E-02  0.6103000    
 O   -7.644700     -0.6813000      0.3896000    
 O    4.113800      -1.046200     -0.2850000    
 O   -2.303400       1.433600      -1.166400    
 C    8.266100     -0.4598000      0.1051000    
 C    9.222700      -1.636500     -6.5099999E-02
 C    6.815300     -0.8848000     -7.2099999E-02
 C    10.67270      -1.199700      6.9899999E-02
 C  -0.1775000      0.9315000     -0.2111000    
 C    2.595000       1.140000      1.6600000E-02
 C   -3.522800     -0.2216000      0.5544000    
 C   -6.293100     -0.5305000      0.4437000    
 C   0.5965000       1.202400      -1.339500    
 C   0.4347000      0.7650000       1.031100    
 C    1.982800       1.306600      -1.225600    
 C    1.820900      0.8692000       1.145000    
 C   -4.082900      -1.205500     -0.2605000    
 C   -4.348000      0.6076000       1.314100    
 C    4.637400      3.5500001E-02 -4.8700001E-02
 C   -5.468000      -1.360000     -0.3160000    
 C   -5.733200      0.4533000       1.258600    
 C   -1.623000      0.8236000     -0.3301000    
 C   -8.195700      -1.165000     -0.8344000    
 C   -9.595000     -0.6112000     -0.9981000    
 H    8.394700     -5.2000000E-03   1.095300    
 H    8.502500      0.3294000     -0.6197000    
 H    9.005500      -2.404700      0.6862000    
 H    9.077800      -2.095600      -1.050000    
 H    6.668400      -1.310300      -1.071900    
 H    6.550400      -1.637000      0.6804000    
 H    10.86040     -0.7627000       1.055900    
 H    11.34020      -2.058200     -5.3900000E-02
 H    10.93100     -0.4561000     -0.6908000    
 H   0.1357000       1.332200      -2.315300    
 H  -0.1432000      0.5667000       1.929900    
 H    2.580600       1.518000      -2.107900    
 H    2.292200      0.7424000       2.115900    
 H   -3.444200      -1.858400     -0.8492000    
 H   -3.917300       1.375300       1.951100    
 H   -5.861600      -2.155700     -0.9413000    
 H   -6.370900       1.102300       1.852500    
 H   -8.231400      -2.259600     -0.8052000    
 H   -7.609600     -0.8393000      -1.703000    
 H   -10.05300     -0.9712000      -1.923700    
 H   -9.577100      0.4837000      -1.015100    
 H   -10.22730     -0.9056000     -0.1538000    


%chk=000085456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085456

0 1
O 6.117752 -0.594117 0.163338
O 3.911937 -0.523421 0.082396
O -2.418834 -0.021742 -0.315444
O -8.061939 0.009121 -0.235082
O 5.149731 1.081869 -1.158371
O -1.902790 1.796903 -1.722314
C 8.492851 -0.975703 0.500227
C 9.945663 -0.544759 0.183918
C 7.478183 -0.087599 -0.215477
C 10.986503 -1.432162 0.899449
C -0.123665 0.479738 -0.708718
C 2.591420 -0.102058 -0.251950
C -3.845410 0.057107 -0.356785
C -6.660348 -0.040382 -0.230161
C 0.893585 1.261209 -1.313218
C 0.239658 -0.606181 0.132322
C 2.257710 0.984185 -1.095699
C 1.594828 -0.896890 0.360666
C -4.482274 -0.954464 0.391070
C -4.606079 1.031573 -1.052173
C 5.067745 0.099567 -0.391180
C -5.889526 -1.011325 0.459885
C -6.010333 0.970816 -0.979867
C -1.539542 0.846001 -0.989040
C -8.791065 -1.018980 0.534008
C -10.278848 -0.723402 0.364834
H 8.338168 -2.027695 0.193919
H 8.315816 -0.926987 1.591488
H 10.114932 -0.586360 -0.911208
H 10.092602 0.512569 0.484029
H 7.552366 0.971425 0.093527
H 7.573551 -0.140351 -1.315752
H 10.881547 -2.490438 0.595804
H 12.017102 -1.112467 0.661518
H 10.861808 -1.383575 1.997270
H 0.597841 2.094281 -1.958966
H -0.542353 -1.209771 0.598580
H 3.035725 1.588439 -1.562708
H 1.903137 -1.725603 1.003894
H -3.867507 -1.691786 0.916134
H -4.111728 1.810868 -1.631787
H -6.362790 -1.804049 1.045459
H -6.624518 1.708591 -1.504777
H -8.489082 -0.965639 1.600601
H -8.533182 -2.024879 0.142572
H -10.879364 -1.465603 0.921614
H -10.565923 -0.767600 -0.699498
H -10.521260 0.282326 0.748052


