%chk=000051014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051014

0 1
 O   -3.723300       1.063000       1.560200    
 O   -4.562500     -0.1317000      -1.731900    
 O   0.4498000      -2.954800       1.226800    
 C   -1.938400      0.5471000      6.4999998E-02
 C   -3.418500      0.8325000      0.1826000    
 C   -1.467300     -0.7683000      1.5100000E-02
 C   -1.016800       1.599000      6.7699999E-02
 C   0.8715000      3.7700001E-02 -3.9299998E-02
 C  -8.5199997E-02  -1.009500     -3.2499999E-02
 C   0.3669000       1.361600      1.2000000E-02
 C   -4.314100     -0.3087000     -0.3380000    
 C    2.296300     -0.1689000     -9.2600003E-02
 C   -2.411400      -1.889200      1.7899999E-02
 C   -3.721300      -1.676500     -0.1631000    
 C    1.249200       2.445100      1.1900000E-02
 C   0.2809000      -2.463600     -9.3999997E-02
 C    3.160300      0.9573000     -9.2000000E-02
 C   -1.537500       3.008300      0.1504000    
 C    2.624700       2.246300     -3.9400000E-02
 C    2.915100      -1.443200     -0.1474000    
 C    4.554700      0.7903000     -0.1437000    
 C    4.303400      -1.595600     -0.1988000    
 C    5.123500     -0.4782000     -0.1968000    
 H   -3.689800       1.723800     -0.3940000    
 H   -5.286000     -0.2807000      0.1677000    
 H   -2.135300      -2.907700      0.2517000    
 H   -4.404400      -2.521500     -0.1463000    
 H   0.9200000       3.479800      2.8800000E-02
 H  -0.4799000      -3.090000     -0.5650000    
 H    1.045900      -2.718700     -0.8269000    
 H   -1.466500       3.492900     -0.8290000    
 H  -0.9751000       3.591400      0.8885000    
 H   -2.565100       3.110900      0.5011000    
 H    3.275900       3.118700     -4.2700000E-02
 H    2.477400      -2.399600      4.4599999E-02
 H   -4.654700       1.337700       1.612200    
 H    5.215900       1.655200     -0.1408000    
 H   -3.705100     -6.9600001E-02  -2.187100    
 H    4.743900      -2.589000     -0.1968000    
 H    6.202900     -0.5914000     -0.2261000    
 H   0.7875000      -2.241900       1.794600    


%chk=000051014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051014

0 1
O -3.616561 1.010295 1.777811
O -4.697187 -0.020792 -1.658114
O 0.609412 -3.340196 0.685906
C -1.942397 0.574389 0.120144
C -3.431592 0.823345 0.315298
C -1.461771 -0.773719 -0.023785
C -1.037247 1.649756 0.080557
C 0.886988 0.031506 -0.063799
C -0.068311 -1.046598 -0.138904
C 0.374888 1.386175 -0.062655
C -4.361984 -0.289589 -0.228909
C 2.350134 -0.158221 -0.008504
C -2.446699 -1.873736 -0.016046
C -3.795894 -1.674276 -0.073917
C 1.289396 2.491128 -0.251244
C 0.341201 -2.467696 -0.491547
C 3.215816 0.975818 -0.246552
C -1.512862 3.088117 0.227269
C 2.645574 2.290246 -0.402712
C 2.984032 -1.396099 0.342972
C 4.635243 0.813593 -0.258403
C 4.381675 -1.526822 0.347561
C 5.220272 -0.427354 0.015244
H -3.740834 1.741747 -0.224500
H -5.343322 -0.199311 0.272133
H -2.080920 -2.904161 0.042207
H -4.491917 -2.519821 -0.068925
H 0.888526 3.505938 -0.311851
H -0.433291 -2.945919 -1.117821
H 1.279909 -2.479053 -1.065029
H -1.483873 3.629618 -0.738406
H -0.875083 3.643129 0.937150
H -2.536748 3.138139 0.621786
H 3.317618 3.134959 -0.594878
H 2.384132 -2.247916 0.677316
H -4.562960 1.262116 1.945046
H 5.261391 1.691015 -0.460070
H -3.949672 -0.359891 -2.215871
H 4.827645 -2.486757 0.630739
H 6.309436 -0.543986 0.009734
H -0.024665 -3.098817 1.408168


