%chk=000039871.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039871

0 1
 O   0.6621000       3.180100     -0.2674000    
 O   -4.056900      -1.720800      0.2279000    
 O   -2.621100     -0.9850000      -1.369400    
 C    2.797600      -1.214300     -0.1756000    
 C    1.598300     -0.3463000      4.0000002E-03
 C   0.3826000     -0.9082000      0.3940000    
 C  -0.7391000     -9.6299998E-02  0.5618000    
 C    1.692100       1.027600     -0.2182000    
 C    2.605200      -2.261700      -1.288700    
 C    3.220400      -1.912300       1.130900    
 C   0.5704000       1.839400     -5.0500002E-02
 C  -0.6452000       1.277500      0.3395000    
 C   -2.039200     -0.6971000      0.9778000    
 C   -2.904000      -1.133500     -0.1885000    
 C  -0.5234000       3.951000     -7.7600002E-02
 H    3.646400     -0.5877000     -0.4820000    
 H   0.2994000      -1.978300      0.5672000    
 H    2.634500       1.476400     -0.5224000    
 H    1.824800      -2.988100      -1.037600    
 H    3.534500      -2.816300      -1.458400    
 H    2.324200      -1.779800      -2.231700    
 H    3.382400      -1.179000       1.928800    
 H    4.155900      -2.463600      0.9861000    
 H    2.464400      -2.624600       1.478300    
 H   -1.548900       1.861000      0.4816000    
 H   -2.610800      2.2500001E-02   1.576300    
 H   -1.856300      -1.572200       1.613300    
 H  -0.8657000       3.914100      0.9622000    
 H   -1.308700       3.662700     -0.7847000    
 H  -0.2681000       4.993800     -0.2925000    
 H   -4.616500      -2.002600     -0.5269000    


%chk=000039871-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039871

0 1
O 0.609247 3.118011 -0.397324
O -3.490944 -1.859127 -0.571555
O -3.833394 0.380812 -0.068892
C 2.883187 -1.250760 -0.166703
C 1.614878 -0.410464 0.012275
C 0.398853 -1.005503 0.451860
C -0.765498 -0.228319 0.620162
C 1.633882 0.972453 -0.256022
C 2.690232 -2.356612 -1.238406
C 3.354559 -1.863056 1.179421
C 0.462743 1.755471 -0.092312
C -0.742214 1.164045 0.347484
C -2.060763 -0.883474 1.114063
C -3.203779 -0.681900 0.132768
C -0.574813 3.970982 -0.262061
H 3.683623 -0.572390 -0.524334
H 0.360556 -2.081289 0.659870
H 2.548569 1.469285 -0.597242
H 1.907876 -3.075447 -0.931719
H 3.629428 -2.921725 -1.385568
H 2.388949 -1.923411 -2.209000
H 3.527386 -1.077373 1.936705
H 4.296455 -2.426054 1.040744
H 2.599464 -2.562566 1.583956
H -1.659700 1.748565 0.465556
H -2.370690 -0.423416 2.070872
H -1.906737 -1.961266 1.274703
H -0.937773 3.992806 0.783993
H -1.392351 3.633841 -0.928207
H -0.240641 4.975609 -0.560120
H -4.219290 -1.679329 -1.227368