%chk=000049838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049838

0 1
 O   -4.011500      -2.164900     -7.8100003E-02
 O   -4.321400      0.1237000      -1.548900    
 C   -1.363700      0.4133000      0.2845000    
 C   -1.991100     -0.8539000      0.3093000    
 C   6.1900001E-02  0.5163000      0.1686000    
 C   -3.496300     -0.9592000      0.4803000    
 C   0.8582000     -0.6645000      0.1049000    
 C   -4.243000      0.2371000     -0.1290000    
 C   0.7356000       1.753700      0.1023000    
 C    2.295900     -0.5751000     -8.2999999E-03
 C   -1.203900      -2.000400      0.2633000    
 C   -2.238700       1.603300      0.4029000    
 C   0.1823000      -1.903400      0.1596000    
 C   -3.559400       1.527600      0.1862000    
 C    2.909000      0.6998000     -6.2799998E-02
 C    2.121200       1.845000     -8.7000001E-03
 C   0.1065000       3.112100      2.9899999E-02
 C    3.170500      -1.692200     -7.1400002E-02
 C    4.304900      0.8286000     -0.1728000    
 C    4.557700      -1.554600     -0.1805000    
 C    5.125500     -0.2922000     -0.2311000    
 H   -3.685200     -0.9922000       1.561700    
 H   -5.271200      0.2428000      0.2506000    
 H   -1.652400      -2.989200      0.3155000    
 H   -1.914700       2.528600      0.8392000    
 H   0.7246000      -2.844800      0.1254000    
 H   -4.178000       2.409500      0.3265000    
 H    2.611200       2.816900     -5.9799999E-02
 H  -0.2105000       3.453800       1.019900    
 H  -0.6779000       3.164700     -0.7308000    
 H   0.8185000       3.878100     -0.3082000    
 H    2.788800      -2.709200     -3.6400001E-02
 H    4.769200       1.812400     -0.2143000    
 H   -4.968400      -2.182000      9.4300002E-02
 H   -4.846000      0.8737000      -1.878400    
 H    5.187800      -2.438100     -0.2254000    
 H    6.201700     -0.1781000     -0.3158000    


%chk=000049838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049838

0 1
O -4.063062 -2.211165 0.000600
O -4.522392 0.137731 -1.371446
C -1.415170 0.462541 0.362500
C -2.023483 -0.822853 0.335648
C 0.020680 0.597144 0.158261
C -3.525703 -0.985838 0.597396
C 0.812338 -0.621944 0.075346
C -4.349874 0.225637 0.116868
C 0.719952 1.879885 -0.016698
C 2.276523 -0.575500 -0.010122
C -1.241392 -1.986410 0.160228
C -2.325964 1.596540 0.648463
C 0.147517 -1.883406 0.063103
C -3.689037 1.510438 0.547217
C 2.921057 0.704392 -0.091567
C 2.105233 1.886437 -0.130357
C 0.038430 3.236355 -0.166647
C 3.107231 -1.739974 -0.005676
C 4.345586 0.791907 -0.170294
C 4.503685 -1.639204 -0.078535
C 5.133319 -0.363908 -0.163029
H -3.682096 -1.098152 1.688926
H -5.381669 0.134978 0.490434
H -1.748544 -2.954954 0.127007
H -1.899385 2.542626 0.978038
H 0.731052 -2.801700 -0.038904
H -4.318711 2.382620 0.750838
H 2.616318 2.847161 -0.273303
H -0.284770 3.663872 0.801691
H -0.844294 3.195578 -0.827861
H 0.750373 3.955176 -0.607092
H 2.664268 -2.737134 0.068977
H 4.811886 1.782146 -0.235990
H -4.310122 -1.961761 -0.933653
H -3.722023 0.539717 -1.799396
H 5.115077 -2.548186 -0.066643
H 6.224866 -0.293793 -0.220127


