%chk=000127619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127619

0 1
 O   0.9735000       1.272200       2.428800    
 O   0.4010000       2.290800     -0.3496000    
 O    2.465800      -1.628000     -0.4486000    
 O    3.547600      0.4072000     -0.7192000    
 O    2.009900       1.135600      -2.325600    
 O   -1.936300      -1.970100      0.1778000    
 O   -3.078300      -3.100800      -1.482200    
 C   0.5284000     -0.4129000      0.5584000    
 C    1.322800      0.7250000       1.166100    
 C  -0.8918000      0.1772000      0.1029000    
 C    1.621100       1.652100      3.8699999E-02
 C    1.434500     -0.6733000     -0.7190000    
 C    2.168300      0.6597000      -1.003600    
 C    2.249300      0.6151000       2.358600    
 C  -0.6609000       1.434700     -0.8075000    
 C   0.4118000      -1.651100       1.451300    
 C   -1.775700      0.6070000       1.314500    
 C   -1.700600     -0.8902000     -0.6916000    
 C    3.692800      -1.004500     -0.8075000    
 C   -1.867500       2.324000     -0.9633000    
 C   -3.109200       1.251300      0.9113000    
 C   -2.978400       2.242500     -0.2127000    
 C    4.796300      -1.469000      0.1192000    
 C   -4.162500       3.132500     -0.4500000    
 C   -2.644300      -3.027900     -0.3405000    
 C   -2.817700      -4.099200      0.6932000    
 H    2.350300       2.425700      0.3003000    
 H   0.8766000      -1.034800      -1.583800    
 H    2.352800     -0.3102000       2.905600    
 H    3.132100       1.242300       2.387200    
 H  -0.4074000       1.098400      -1.819500    
 H   0.1186000      -2.543200      0.8930000    
 H    1.380500      -1.919100       1.887100    
 H  -0.2651000      -1.503700       2.296300    
 H   -1.253200       1.353700       1.917900    
 H   -1.988300     -0.2295000       1.988100    
 H   -1.153900      -1.239000      -1.572400    
 H   -2.654800     -0.4952000      -1.056100    
 H    3.931100      -1.270500      -1.844100    
 H   -1.813400       3.067200      -1.755900    
 H   -3.522200       1.754300       1.794900    
 H   -3.833900      0.4785000      0.6291000    
 H    2.114100       2.101700      -2.309900    
 H    4.915200      -2.555800      7.2800003E-02
 H    5.746900     -0.9883000     -0.1315000    
 H    4.562100      -1.209900       1.157700    
 H   -5.050100       2.530800     -0.6706000    
 H   -4.005100       3.815000      -1.291700    
 H   -4.365600       3.739800      0.4380000    
 H   -3.345800      -3.694100       1.560000    
 H   -1.840700      -4.491100      0.9864000    
 H   -3.412000      -4.915900      0.2740000    


%chk=000127619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127619

0 1
O 0.994521 1.303902 2.643915
O 0.380631 2.332095 -0.316600
O 2.731691 -1.512810 -0.260837
O 3.664149 0.594594 -0.595977
O 2.018742 1.112652 -2.281233
O -2.201942 -1.975215 0.220272
O -3.339286 -2.828867 -1.628913
C 0.645444 -0.425991 0.646040
C 1.385012 0.766808 1.303975
C -0.793296 0.090002 0.165759
C 1.635402 1.736789 0.151685
C 1.589026 -0.636813 -0.602557
C 2.237888 0.764986 -0.901813
C 2.345999 0.652465 2.438110
C -0.627829 1.319120 -0.803490
C 0.563029 -1.668355 1.550517
C -1.668823 0.542490 1.369438
C -1.535134 -0.984628 -0.676869
C 3.922487 -0.847798 -0.819192
C -1.896054 2.106000 -1.023494
C -3.061958 1.038449 0.924947
C -3.012239 1.997666 -0.252669
C 5.172347 -1.286594 -0.087751
C -4.264980 2.801637 -0.529280
C -3.096408 -2.857248 -0.401846
C -3.682324 -3.815055 0.613163
H 2.297972 2.581928 0.393562
H 1.081737 -1.029978 -1.500404
H 2.472194 -0.307735 2.949765
H 3.200240 1.338793 2.480694
H -0.247675 0.956095 -1.782550
H -0.113299 -2.429546 1.132936
H 1.562677 -2.117329 1.665811
H 0.177704 -1.388821 2.547419
H -1.147503 1.362226 1.890425
H -1.785141 -0.286656 2.086546
H -0.858278 -1.546527 -1.344345
H -2.314359 -0.520847 -1.306535
H 3.963003 -1.028690 -1.914511
H -1.872799 2.817279 -1.858982
H -3.556920 1.541117 1.780324
H -3.718926 0.180758 0.667337
H 2.131512 2.090360 -2.397108
H 5.320105 -2.372127 -0.216923
H 6.051673 -0.759452 -0.494455
H 5.080915 -1.061068 0.987311
H -5.142033 2.138342 -0.666458
H -4.163694 3.428511 -1.431698
H -4.501284 3.464564 0.326424
H -4.082000 -3.262572 1.480145
H -2.894664 -4.491898 0.989452
H -4.478552 -4.410007 0.143320


