%chk=000104027.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104027

0 1
 O   -3.185400     -0.4187000     -1.6500000E-02
 O   -4.453900       1.511600      5.4699998E-02
 C    3.062700      6.0999999E-03  2.9700000E-02
 C    4.300300     -0.8989000      2.8100001E-02
 C    5.660400     -0.1793000     -4.4599999E-02
 C    1.741800     -0.7657000      3.6100000E-02
 C   0.5436000      0.1871000      3.2400001E-02
 C  -0.7793000     -0.5841000     -1.3000000E-03
 C    5.866100      0.6634000       1.217600    
 C    5.786300      0.7075000      -1.283600    
 C   -1.987900      0.3437000      2.7300000E-02
 C   -4.347900      0.2965000      3.5000001E-03
 C   -5.474100     -0.6589000     -4.6000000E-02
 C   -6.732600     -0.2105000     -3.7500001E-02
 H    3.087300      0.6628000      0.9066000    
 H    3.077000      0.6526000     -0.8547000    
 H    4.229400      -1.581600     -0.8288000    
 H    4.278300      -1.533600      0.9234000    
 H    1.697900      -1.411200      0.9214000    
 H    1.696400      -1.418700     -0.8439000    
 H    6.445500     -0.9445000     -8.2599998E-02
 H   0.5763000      0.8219000      0.9262000    
 H   0.6006000      0.8504000     -0.8391000    
 H  -0.8270000      -1.212500     -0.8995000    
 H  -0.8360000      -1.274400      0.8496000    
 H    5.739600      5.6400001E-02   2.120200    
 H    6.881300       1.074900       1.236300    
 H    5.171300       1.507500       1.270100    
 H    5.110800       1.568000      -1.247800    
 H    6.806600       1.097200      -1.369300    
 H    5.570500      0.1375000      -2.193200    
 H   -1.956600       1.018700     -0.8364000    
 H   -1.972800      0.9429000      0.9456000    
 H   -5.263600      -1.721600     -8.9100003E-02
 H   -7.559000     -0.9126000     -7.4000001E-02
 H   -6.975100      0.8456000      4.9999999E-03


%chk=000104027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104027

0 1
O -3.249797 -0.444535 -0.006052
O -4.557301 1.493869 0.039498
C 3.093660 0.074249 -0.007687
C 4.310916 -0.880304 -0.018488
C 5.711643 -0.202452 -0.007929
C 1.749257 -0.688799 -0.016598
C 0.517269 0.243760 -0.004507
C -0.819485 -0.534854 -0.012218
C 5.956871 0.622879 1.278760
C 5.960664 0.654793 -1.272830
C -2.023193 0.406534 0.003453
C -4.470944 0.240831 0.014428
C -5.596122 -0.731043 0.001959
C -6.887850 -0.312235 0.019184
H 3.132381 0.725858 0.888391
H 3.132701 0.746626 -0.888290
H 4.241429 -1.531335 -0.915570
H 4.239102 -1.554299 0.861276
H 1.706033 -1.364576 0.863112
H 1.705255 -1.342978 -0.912460
H 6.456040 -1.027781 -0.017213
H 0.562585 0.897258 0.891538
H 0.560733 0.918257 -0.884913
H -0.873393 -1.179946 -0.910338
H -0.869434 -1.204115 0.868269
H 5.779825 0.013645 2.185357
H 6.998670 0.992790 1.316150
H 5.290613 1.504511 1.326810
H 5.294163 1.537120 -1.301279
H 7.002395 1.025987 -1.297621
H 5.786965 0.068271 -2.194922
H -2.050298 1.068681 -0.882245
H -2.046629 1.043707 0.907378
H -5.322793 -1.791083 -0.021472
H -7.721150 -1.022390 0.010180
H -7.121980 0.758598 0.042788


