%chk=000105394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105394

0 1
 O    3.373400      0.1087000      4.1600000E-02
 O    3.224500       2.130000       1.133200    
 O   -3.386000       1.790100      -1.354300    
 C    5.335600      -1.213800     -0.3250000    
 C    6.839000      -1.333700     -9.2500001E-02
 C    4.773700      6.5499999E-02  0.2787000    
 C    1.267900       1.124700      0.2133000    
 C   -1.426400      0.9835000     -0.3642000    
 C    7.388600      -2.632900     -0.6592000    
 C  -0.4978000      0.3913000      -1.220000    
 C  -0.9930000       1.647100      0.7836000    
 C   0.8644000      0.4627000     -0.9280000    
 C   0.3692000       1.718500       1.075700    
 C    2.717700       1.200600      0.5241000    
 C   -2.846300      0.9091000     -0.6683000    
 C   -3.712200     -0.2076000     -0.1823000    
 C   -3.140000      -1.198600      0.5802000    
 C   -5.045900     -0.1991000     -0.5176000    
 C   -3.947900      -2.241400       1.033600    
 C   -5.853900      -1.241800     -6.4099997E-02
 C   -5.304900      -2.262900      0.7114000    
 H    5.113500      -1.238300      -1.399200    
 H    4.814500      -2.076800      0.1080000    
 H    7.054700      -1.292500      0.9816000    
 H    7.356700     -0.4881000     -0.5601000    
 H    4.960800      8.4500000E-02   1.358800    
 H    5.249600      0.9386000     -0.1832000    
 H    6.914800      -3.499000     -0.1861000    
 H    7.216500      -2.693700      -1.738600    
 H    8.466800      -2.697300     -0.4829000    
 H  -0.8242000     -0.1257000      -2.118800    
 H   -1.707800       2.111700       1.458000    
 H    1.567700      5.2000000E-03  -1.617300    
 H   0.6942000       2.234800       1.974000    
 H   -2.090100      -1.216300      0.8509000    
 H   -5.495700      0.5840000      -1.119600    
 H   -3.520900      -3.036800       1.637600    
 H   -6.910500      -1.259000     -0.3147000    
 H   -5.933900      -3.074700       1.064500    


%chk=000105394-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105394

0 1
O 3.606571 -0.305652 0.061813
O 2.926917 0.766363 2.017133
O -2.927459 -0.192152 -2.445997
C 5.897621 -0.858050 -0.539693
C 7.396437 -0.809012 -0.157054
C 5.021841 -0.206800 0.529955
C 1.261562 0.092128 0.363015
C -1.401321 -0.132462 -0.593177
C 8.296213 -1.466724 -1.225007
C -0.312740 -0.612076 -1.371160
C -1.138904 0.479163 0.663370
C 1.006666 -0.513058 -0.896524
C 0.182900 0.595821 1.133570
C 2.642848 0.231940 0.915367
C -2.785212 -0.218185 -1.182552
C -3.990204 -0.331274 -0.292373
C -3.943346 -0.947623 0.988037
C -5.237446 0.129992 -0.795067
C -5.122231 -1.088907 1.752344
C -6.409074 0.003957 -0.023819
C -6.354223 -0.605865 1.253670
H 5.740978 -0.341003 -1.505942
H 5.581273 -1.909545 -0.680691
H 7.546569 -1.316865 0.817237
H 7.706190 0.245677 -0.010957
H 5.102060 -0.717430 1.507732
H 5.264904 0.861723 0.679965
H 8.030592 -2.531033 -1.366952
H 8.187015 -0.960264 -2.202235
H 9.361960 -1.419566 -0.936741
H -0.528565 -1.052353 -2.349878
H -1.963633 0.890134 1.253965
H 1.845976 -0.891454 -1.485927
H 0.404081 1.075627 2.092459
H -2.997786 -1.346077 1.370163
H -5.261268 0.576684 -1.794576
H -5.081320 -1.578515 2.731416
H -7.363628 0.373419 -0.413883
H -7.266417 -0.710081 1.851795


