%chk=000039877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039877

0 1
 O   -2.198700      -3.213000      0.3720000    
 O    5.487500      0.8664000      0.1862000    
 O   -4.585100       3.118200     -0.1356000    
 O   -3.448500       1.835000       1.355200    
 C   3.6600001E-02 -0.3618000     -0.1402000    
 C   -2.237400      0.3146000     -0.5977000    
 C    1.445300     -4.4500001E-02 -5.6000002E-02
 C  -0.8788000      0.6205000     -0.5182000    
 C  -0.4072000      -1.650300      0.1582000    
 C   -2.681100     -0.9737000     -0.2993000    
 C   -1.765800      -1.956300      7.8800000E-02
 C   -3.216400       1.364400      -1.002700    
 C    1.850100       1.249600      0.2711000    
 C    2.398800      -1.032500     -0.3017000    
 C    3.208500       1.555700      0.3524000    
 C    3.757300     -0.7265000     -0.2204000    
 C    4.162200      0.5677000      0.1067000    
 C   -3.735300       2.114700      0.1981000    
 C   -3.600700      -3.457100      0.2703000    
 C    6.408600     -0.1911000     -7.7100001E-02
 H  -0.5635000       1.626000     -0.7852000    
 H   0.2692000      -2.435500      0.4861000    
 H   -3.748000      -1.156000     -0.3749000    
 H   -4.065900      0.9140000      -1.528800    
 H   -2.744500       2.079500      -1.686500    
 H    1.145200       2.043400      0.5019000    
 H    2.130400      -2.045200     -0.5902000    
 H    3.518500       2.563800      0.6143000    
 H    4.444700      -1.539000     -0.4300000    
 H   -3.765900      -4.506100      0.5373000    
 H   -3.958300      -3.329300     -0.7570000    
 H   -4.167700      -2.852600      0.9864000    
 H    6.321800     -0.5530000      -1.107200    
 H    6.314000     -0.9992000      0.6563000    
 H    7.416200      0.2233000      3.2200001E-02
 H   -4.925900       3.587400      0.6555000    


%chk=000039877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039877

0 1
O -2.257675 -3.143650 0.491820
O 5.647171 0.859458 0.167328
O -4.070701 3.077431 0.517748
O -5.266345 1.112947 0.203835
C 0.031318 -0.318950 -0.156895
C -2.264961 0.435713 -0.649073
C 1.494193 -0.042894 -0.080697
C -0.881419 0.693361 -0.575695
C -0.483688 -1.590685 0.185566
C -2.775065 -0.841784 -0.303841
C -1.873328 -1.847842 0.112656
C -3.221311 1.531184 -1.132314
C 1.984464 1.252803 0.254411
C 2.450939 -1.058431 -0.338266
C 3.361045 1.519970 0.328492
C 3.838656 -0.809826 -0.268464
C 4.297580 0.488211 0.066907
C -4.294098 1.839958 -0.100183
C -3.688725 -3.459376 0.466695
C 6.652954 -0.176684 -0.077752
H -0.500592 1.676400 -0.873224
H 0.169499 -2.389673 0.549340
H -3.853804 -1.018352 -0.348200
H -3.741473 1.194626 -2.048572
H -2.664420 2.451911 -1.362921
H 1.276409 2.054655 0.491023
H 2.109125 -2.058357 -0.628312
H 3.735521 2.512342 0.597231
H 4.540711 -1.620663 -0.484835
H -3.758578 -4.500668 0.813913
H -4.101063 -3.378694 -0.557879
H -4.259442 -2.797823 1.146588
H 6.584391 -0.568326 -1.111505
H 6.553887 -1.012290 0.642347
H 7.621909 0.323563 0.065353
H -4.772886 3.231934 1.207675


