%chk=000005254.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005254

0 1
 O   -3.248500      -1.612300     -2.8800000E-02
 O    1.542100      -1.423100     -0.1667000    
 O  -0.9885000       2.666200      0.1355000    
 O   -3.557900       2.456300      9.4899997E-02
 O   5.5300001E-02   4.697100      0.2096000    
 C   -4.684500      0.3520000     -4.2700000E-02
 C   -4.353700     -0.9829000      0.6267000    
 C   -2.134500      0.5471000      5.3300001E-02
 C   -2.104200     -0.8500000     -9.7000003E-03
 C  -0.8761000      -1.528600     -9.1600001E-02
 C   0.3263000     -0.7970000     -7.1099997E-02
 C   -3.457600       1.234700      5.8699999E-02
 C    1.643500      -2.841100      5.7399999E-02
 C   0.3214000      0.6137000      5.7000001E-03
 C  -0.9230000       1.256300      6.6299997E-02
 C   -5.099900      0.2514000      -1.508900    
 C  -0.8245000      -2.984600     -0.2061000    
 C   0.3575000      -3.597300     -0.1274000    
 C   -5.519900      -1.965200      0.6035000    
 C    1.546800       1.451700      2.1900000E-02
 C    2.172600      -3.049300       1.481000    
 C    2.678700      -3.347200     -0.9545000    
 C    1.425500       2.787700      8.9599997E-02
 C    2.946500      0.9770000     -2.7600000E-02
 C   0.1306000       3.475500      0.1495000    
 C    3.577500      0.8125000      -1.257300    
 C    3.624400      0.6983000       1.155500    
 C    4.898000      0.3652000      -1.304200    
 C    4.944800      0.2512000       1.108700    
 C    5.581500      8.4600002E-02 -0.1212000    
 H   -5.486800      0.8372000      0.5277000    
 H   -4.083800     -0.8176000       1.680300    
 H   -6.048500     -0.2836000      -1.615400    
 H   -5.234800       1.249100      -1.941900    
 H   -4.346300     -0.2643000      -2.113500    
 H   -1.734500      -3.559400     -0.3289000    
 H   0.3938000      -4.682500     -0.1774000    
 H   -6.418300      -1.528700       1.050000    
 H   -5.749800      -2.295000     -0.4149000    
 H   -5.259000      -2.869600       1.164600    
 H    1.475900      -2.641600       2.223200    
 H    2.332800      -4.109200       1.706800    
 H    3.121000      -2.519800       1.626500    
 H    3.628200      -2.810500     -0.8433000    
 H    2.875400      -4.418900     -0.8405000    
 H    2.341700      -3.165800      -1.982300    
 H    2.295600       3.440200      0.1042000    
 H    3.056700       1.025200      -2.187500    
 H    3.140300      0.8207000       2.121200    
 H    5.393300      0.2341000      -2.261800    
 H    5.476700      3.1099999E-02   2.029700    
 H    6.609300     -0.2647000     -0.1577000    


%chk=000005254-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005254

0 1
O -3.229830 -1.637590 -0.000380
O 1.561927 -1.484313 0.028923
O -0.965157 2.606148 0.699245
O -3.666211 2.485249 0.538007
O 0.040891 4.612676 1.256860
C -4.663920 0.382743 -0.161290
C -4.524109 -1.021733 0.450338
C -2.152695 0.571690 0.299203
C -2.094163 -0.843081 0.104159
C -0.865205 -1.551073 0.018083
C 0.348627 -0.823732 0.098709
C -3.474343 1.263695 0.284785
C 1.633024 -2.975870 0.355542
C 0.371229 0.606866 0.230692
C -0.896776 1.255826 0.407676
C -4.765946 0.395304 -1.708878
C -0.809508 -2.995113 -0.220668
C 0.367623 -3.670596 -0.116912
C -5.610640 -2.028719 0.084402
C 1.580906 1.429682 0.260063
C 1.795126 -3.078620 1.888861
C 2.887443 -3.451776 -0.392378
C 1.481687 2.770009 0.603983
C 2.938226 0.940519 -0.142212
C 0.231128 3.437399 0.899894
C 3.159603 0.402819 -1.437435
C 4.046022 1.120816 0.725097
C 4.459417 0.047465 -1.851148
C 5.346263 0.746390 0.317643
C 5.558223 0.211030 -0.973253
H -5.569272 0.857279 0.261467
H -4.444188 -0.925278 1.554517
H -5.700808 -0.082708 -2.051173
H -4.766484 1.437166 -2.072280
H -3.916667 -0.135663 -2.174398
H -1.735664 -3.499985 -0.506471
H 0.438329 -4.742586 -0.332348
H -6.596405 -1.654084 0.413112
H -5.644120 -2.199940 -1.004320
H -5.422618 -2.995033 0.582702
H 0.916381 -2.654136 2.404509
H 1.887558 -4.138520 2.188113
H 2.701123 -2.537765 2.214667
H 3.757896 -2.838172 -0.105080
H 3.097097 -4.506813 -0.139491
H 2.746515 -3.370766 -1.483141
H 2.370447 3.405912 0.614545
H 2.312899 0.270781 -2.119524
H 3.882888 1.535892 1.726312
H 4.617714 -0.353513 -2.858506
H 6.190219 0.879299 1.003611
H 6.567394 -0.069176 -1.295333


