%chk=000114572.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114572

0 1
 O   0.4706000      0.2045000       1.513100    
 O    2.953200      -1.640200      0.4614000    
 C  -0.6922000       1.280100     -0.3093000    
 C    1.271900     -0.3819000     -0.6888000    
 C   0.3698000      0.3585000      0.2954000    
 C   -1.938100       1.383600      0.5856000    
 C  -6.4499997E-02   2.655800     -0.5218000    
 C    2.675700     -0.5998000     -0.1380000    
 C   0.6537000      -1.698200      -1.149700    
 C   -2.593300      4.5800000E-02  0.8022000    
 C    3.700800      0.5025000     -0.3532000    
 C   -3.562000     -0.5377000      7.1099997E-02
 C    5.061100      0.1438000      0.2183000    
 C   -4.173300      -1.882100      0.3457000    
 C   -4.133300      0.1654000      -1.132000    
 H  -0.9890000      0.8677000      -1.281300    
 H    1.392100      0.2514000      -1.576700    
 H   -1.666000       1.786000       1.570500    
 H   -2.648300       2.106200      0.1690000    
 H   0.8118000       2.594400      -1.175900    
 H   0.2660000       3.092400      0.4274000    
 H  -0.7806000       3.343500     -0.9834000    
 H    1.320600      -2.229000      -1.837300    
 H  -0.2986000      -1.524100      -1.661400    
 H   0.4505000      -2.358700     -0.2993000    
 H   -2.218700     -0.5097000       1.661100    
 H    3.327600       1.414400      0.1239000    
 H    3.792200      0.6796000      -1.429800    
 H    5.456800     -0.7649000     -0.2474000    
 H    5.773500      0.9557000      4.3099999E-02
 H    5.001000     -3.0800000E-02   1.297700    
 H   -3.738400      -2.346600       1.236800    
 H   -4.006400      -2.558100     -0.4989000    
 H   -5.251200      -1.785400      0.5108000    
 H   -5.173000      0.4503000     -0.9393000    
 H   -3.589800       1.063100      -1.433900    
 H   -4.119800     -0.5081000      -1.996300    


%chk=000114572-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114572

0 1
O 0.661490 0.296231 1.387044
O 3.414073 -1.847373 -0.215718
C -0.546398 1.167785 -0.555415
C 1.429010 -0.538680 -0.783845
C 0.528326 0.312215 0.133762
C -1.827900 1.311003 0.315019
C 0.084840 2.559321 -0.861334
C 2.870274 -0.713885 -0.246715
C 0.733878 -1.906586 -1.020835
C -2.536038 -0.008605 0.551266
C 3.598637 0.548086 0.212780
C -3.730495 -0.423286 0.036376
C 5.120394 0.369062 0.351877
C -4.295112 -1.790952 0.390447
C -4.602303 0.394978 -0.900886
H -0.811385 0.686335 -1.517794
H 1.510690 -0.009647 -1.758410
H -1.522272 1.738437 1.290367
H -2.494404 2.046942 -0.171086
H 1.000475 2.477037 -1.476438
H 0.344225 3.078268 0.079010
H -0.637710 3.185413 -1.414746
H 1.344347 -2.519349 -1.704135
H -0.273569 -1.774632 -1.453809
H 0.643361 -2.457052 -0.069452
H -2.004027 -0.697310 1.224951
H 3.148510 0.824850 1.188693
H 3.346989 1.382089 -0.474555
H 5.586486 0.133418 -0.621179
H 5.585862 1.288559 0.748915
H 5.349776 -0.465899 1.034750
H -3.625585 -2.347280 1.068879
H -4.453871 -2.405104 -0.518694
H -5.283151 -1.696789 0.883824
H -5.603620 0.560810 -0.455892
H -4.173065 1.380167 -1.145487
H -4.768336 -0.149176 -1.852132


