%chk=000039870.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039870

0 1
 O    1.393200       3.248900     -0.3675000    
 O    4.155900      -2.920600      0.2158000    
 O    2.862300      -1.907600      -1.350900    
 C  -0.7189000      0.3021000      0.1251000    
 C    1.580100     -0.2778000      0.5882000    
 C   0.2362000     -0.6415000      0.5025000    
 C   -2.112900     -7.5199999E-02  3.5000000E-02
 C  -0.3304000       1.609600     -0.1667000    
 C    1.968700       1.029700      0.2965000    
 C    1.013400       1.973500     -8.1000000E-02
 C    2.602200      -1.287000      0.9894000    
 C   -2.627600     -0.5615000      -1.166700    
 C   -2.941900      4.7100000E-02   1.150000    
 C   -3.971400     -0.9254000      -1.253500    
 C   -4.285700     -0.3169000       1.063300    
 C    3.194100      -2.046400     -0.1817000    
 C   -4.800400     -0.8031000     -0.1385000    
 C    2.783100       3.552100     -0.2594000    
 H  -6.2600002E-02  -1.663200      0.7284000    
 H   -1.067100       2.353500     -0.4626000    
 H    3.026700       1.257100      0.3760000    
 H    2.156600      -2.015900       1.677300    
 H    3.421200     -0.7944000       1.527400    
 H   -1.995200     -0.6633000      -2.045500    
 H   -2.556900      0.4243000       2.094500    
 H   -4.372300      -1.304000      -2.189100    
 H   -4.931400     -0.2217000       1.931500    
 H   -5.846700      -1.086500     -0.2060000    
 H    3.377900       2.975600     -0.9760000    
 H    3.142200       3.435200      0.7687000    
 H    2.904300       4.608300     -0.5213000    
 H    4.538300      -3.412200     -0.5421000    


%chk=000039870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039870

0 1
O 1.399911 3.228223 -0.039028
O 3.508416 -2.796043 -1.071782
O 4.622284 -0.858600 -0.444387
C -0.734273 0.224670 0.187336
C 1.603532 -0.479964 0.529433
C 0.232874 -0.793166 0.432415
C -2.185035 -0.110841 0.082277
C -0.290620 1.558687 0.042514
C 2.043232 0.860181 0.381145
C 1.086498 1.872089 0.137376
C 2.621741 -1.587047 0.822672
C -2.610054 -1.355147 -0.460385
C -3.181962 0.803918 0.520943
C -3.981049 -1.674332 -0.560050
C -4.553358 0.487660 0.419734
C 3.688748 -1.670766 -0.257066
C -4.961069 -0.754182 -0.120785
C 2.814343 3.609297 0.018733
H -0.095198 -1.828278 0.576088
H -0.989635 2.369957 -0.181810
H 3.112870 1.082269 0.440326
H 2.115294 -2.560226 0.908946
H 3.141488 -1.373448 1.775280
H -1.863232 -2.064417 -0.835072
H -2.879587 1.756741 0.970012
H -4.284903 -2.635602 -0.989646
H -5.303175 1.205427 0.771165
H -6.025770 -1.000745 -0.198472
H 3.402706 3.092768 -0.763906
H 3.249651 3.390146 1.012986
H 2.826142 4.694276 -0.160814
H 4.204191 -2.800703 -1.785075


