%chk=000103891.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103891

0 1
 O   0.4574000       1.505900     -9.3699999E-02
 O    6.795200       2.074300      0.1469000    
 O   -4.643300       5.103200      0.1178000    
 O   -1.714600      -3.530100       2.801300    
 O  -7.8800000E-02  -2.038700       2.285000    
 C  -0.3558000      -1.214500     -0.3905000    
 C    1.072600     -0.8162000     -0.3090000    
 C   -1.295500     -0.2331000     -0.3193000    
 C    1.417700      0.5286000     -0.1641000    
 C  -0.8914000       1.187500     -0.1648000    
 C    2.769300      0.9526000     -8.2199998E-02
 C   -1.816400       2.178200     -9.1899998E-02
 C  -0.7791000      -2.612500     -0.5413000    
 C    3.791500     -2.0700000E-02 -0.1501000    
 C    2.107000      -1.759500     -0.3737000    
 C   -3.246000       1.823300     -0.1692000    
 C   -2.739400     -0.5360000     -0.3916000    
 C    3.445200      -1.368500     -0.2955000    
 C   -3.658900      0.4376000     -0.3203000    
 C    3.148000       2.305400      6.4300001E-02
 C   -1.020800      -3.413000      0.5681000    
 C   -1.430800       3.576000      5.9799999E-02
 C    5.138900      0.3705000     -7.1999997E-02
 C  -0.9321000      -3.115600      -1.827800    
 C   -4.174700       2.793900     -9.9200003E-02
 C    4.490600       2.679700      0.1406000    
 C    5.485500       1.712600      7.2700001E-02
 C   -2.346900       4.548600      0.1306000    
 C   -3.791800       4.222700      5.5300001E-02
 C   -1.421800      -4.736900      0.3889000    
 C   -1.333000      -4.439600      -2.007100    
 C   -1.577700      -5.250300     -0.8987000    
 C  -0.8702000      -2.915400       1.930600    
 H    1.899700      -2.820900     -0.4857000    
 H   -3.091500      -1.555100     -0.5035000    
 H    4.215400      -2.135500     -0.3499000    
 H   -4.715500      0.1953000     -0.3749000    
 H    2.395900       3.089800      0.1211000    
 H  -0.3798000       3.840500      0.1172000    
 H    5.929400     -0.3763000     -0.1240000    
 H  -0.7445000      -2.497400      -2.702300    
 H   -5.238400       2.582600     -0.1516000    
 H    4.742900       3.730700      0.2533000    
 H   -2.062700       5.588300      0.2433000    
 H   -1.607100      -5.399800       1.230000    
 H   -1.453500      -4.839600      -3.009600    
 H   -1.886500      -6.282100      -1.038700    
 H    6.850500       3.040400      0.2454000    
 H   -1.608100      -3.189800       3.715200    


%chk=000103891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103891

0 1
O 0.399102 1.517031 -0.093587
O 6.814208 2.021476 0.206373
O -4.675346 5.412922 -0.097165
O -0.842621 -4.169869 2.916014
O -0.353460 -1.972542 2.366363
C -0.410627 -1.197722 -0.308130
C 0.995038 -0.852512 -0.233365
C -1.381221 -0.177497 -0.294790
C 1.364973 0.508817 -0.122194
C -0.972145 1.208256 -0.182391
C 2.724245 0.942886 -0.036270
C -1.867204 2.284967 -0.155336
C -0.813780 -2.631548 -0.488062
C 3.762977 -0.065592 -0.067699
C 2.055412 -1.828818 -0.263889
C -3.299580 1.997658 -0.238342
C -2.810792 -0.428566 -0.366548
C 3.387835 -1.451914 -0.184891
C -3.718250 0.607838 -0.338951
C 3.089992 2.321501 0.079084
C -0.921602 -3.566216 0.588377
C -1.444990 3.667570 -0.050121
C 5.126446 0.337069 0.015882
C -1.089148 -3.083678 -1.803539
C -4.224931 3.043825 -0.216999
C 4.431054 2.695433 0.159938
C 5.454226 1.693415 0.127861
C -2.365680 4.693787 -0.031012
C -3.820430 4.446355 -0.114647
C -1.290783 -4.913050 0.327078
C -1.454166 -4.424263 -2.056638
C -1.552827 -5.344351 -0.987771
C -0.673364 -3.125321 1.991148
H 1.787678 -2.886159 -0.353565
H -3.151270 -1.465839 -0.437290
H 4.178262 -2.209708 -0.209267
H -4.793203 0.399806 -0.390567
H 2.303144 3.079562 0.104568
H -0.373065 3.879843 0.014397
H 5.928579 -0.406612 -0.005333
H -1.011388 -2.371462 -2.631735
H -5.300398 2.839632 -0.277216
H 4.703747 3.754669 0.249258
H -2.054038 5.741368 0.048073
H -1.370947 -5.604367 1.169735
H -1.660010 -4.746165 -3.083148
H -1.835558 -6.384801 -1.177915
H 6.944733 2.998628 0.289922
H -0.672724 -3.814645 3.829500


