%chk=000047887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047887

0 1
 O   -5.106100     -0.9338000       1.504300    
 O   -5.410500      0.6112000      -1.747500    
 C   -3.197800     -0.8399000      5.2499998E-02
 C   -2.384200      0.3130000      0.1404000    
 C   -4.707100     -0.7426000      0.1446000    
 C  -0.9589000      0.1890000      9.6900001E-02
 C  -0.3929000      -1.098300     -2.8400000E-02
 C   -5.260100      0.6087000     -0.3301000    
 C    1.916100     -0.1792000     -2.7000001E-03
 C    1.349100       1.107400      0.1157000    
 C  -4.9699999E-02   1.271900      0.1616000    
 C   -2.606700      -2.099500     -6.8400003E-02
 C   -3.061500       1.617900      0.2799000    
 C    1.006100      -1.260500     -7.3600002E-02
 C   -1.222800      -2.224100     -0.1097000    
 C   -4.371400       1.756900      3.4800000E-02
 C    3.350300     -0.3187000     -4.5899998E-02
 C    4.161000      0.8434000      3.1199999E-02
 C    2.180200       2.229700      0.1880000    
 C    3.564500       2.100500      0.1467000    
 C    4.027900      -1.558600     -0.1620000    
 C    5.562400      0.7434000     -7.4000000E-03
 C    5.422300      -1.644700     -0.1992000    
 C    6.189900     -0.4931000     -0.1216000    
 H   -5.161600      -1.546700     -0.4466000    
 H   -6.249800      0.7808000      0.1097000    
 H  -0.4297000       2.288700      0.2469000    
 H   -3.221700      -2.994300     -0.1238000    
 H    1.387900      -2.276100     -0.1691000    
 H   -2.490200       2.494600      0.5572000    
 H  -0.7964000      -3.221300     -0.2043000    
 H   -4.822100       2.742900      0.1070000    
 H    1.757100       3.228600      0.2792000    
 H    4.172000       3.001400      0.2067000    
 H   -4.519100     -0.4094000       2.075500    
 H    3.479600      -2.495000     -0.2262000    
 H   -6.037800     -9.5600002E-02  -1.976800    
 H    6.182500       1.636000      5.2000001E-02
 H    5.902900      -2.614600     -0.2888000    
 H    7.273400     -0.5547000     -0.1500000    


%chk=000047887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047887

0 1
O -5.114520 -1.016704 1.561933
O -5.554025 0.675557 -1.753274
C -3.201445 -0.848393 0.015203
C -2.400048 0.309732 0.098456
C -4.708175 -0.738114 0.152592
C -0.951638 0.182047 0.067052
C -0.361695 -1.144308 -0.050791
C -5.308436 0.621210 -0.289259
C 1.929411 -0.190922 -0.005239
C 1.340378 1.135165 0.105834
C -0.063667 1.288228 0.137622
C -2.605296 -2.142415 -0.106986
C -3.061751 1.622798 0.199845
C 1.052430 -1.290724 -0.082832
C -1.222342 -2.291389 -0.139130
C -4.405186 1.787342 0.024969
C 3.395050 -0.323613 -0.035029
C 4.209132 0.862887 0.045393
C 2.206691 2.295336 0.182337
C 3.578249 2.165184 0.153478
C 4.055490 -1.583428 -0.140996
C 5.631422 0.750081 0.017603
C 5.456182 -1.675897 -0.166839
C 6.254220 -0.501433 -0.086905
H -5.207014 -1.546817 -0.410774
H -6.270268 0.722901 0.258028
H -0.457070 2.307161 0.212518
H -3.259629 -3.019971 -0.159378
H 1.447938 -2.308057 -0.172665
H -2.447676 2.507184 0.397097
H -0.771479 -3.286117 -0.231148
H -4.859243 2.783185 0.056020
H 1.742995 3.285445 0.263651
H 4.222990 3.050064 0.211680
H -4.524357 -0.490493 2.161899
H 3.469539 -2.505535 -0.204721
H -6.327290 0.088819 -1.961464
H 6.234576 1.663798 0.079467
H 5.935955 -2.657267 -0.249226
H 7.346704 -0.577225 -0.107323


