%chk=000127113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127113

0 1
 O   0.1379000      -1.690400       1.759200    
 O   -1.747100       1.001700       2.129800    
 O   -5.001800      0.3540000      0.3325000    
 O   -5.915500      -2.044900     -0.4605000    
 O    6.084400     -0.7934000      -1.360300    
 C  -0.8100000       1.084500     -0.5468000    
 C   -1.784700     -3.0000000E-03 -7.2899997E-02
 C   0.4996000       1.078200      0.2453000    
 C    1.202100     -0.3084000      2.4400000E-02
 C   -3.003100      0.3064000     -0.9629000    
 C   -1.145000      -1.381100     -0.2863000    
 C   0.2583000      -1.497200      0.3518000    
 C   -1.664000       2.347300     -0.5705000    
 C    2.546900     -0.3276000      0.8047000    
 C   -3.043800       1.848600      -1.033100    
 C    1.417800       2.248700     -0.1590000    
 C    2.779200       2.180600      0.5366000    
 C    3.390000      0.8274000      0.2952000    
 C   -2.185700      0.1311000       1.385400    
 C    3.329400      -1.649700      0.7613000    
 C   -4.296500     -0.2634000     -0.4641000    
 C    4.086900      -1.839000     -0.5415000    
 C    4.534700      0.6845000     -0.3895000    
 C    5.006300     -0.6654000     -0.7839000    
 C   -4.676400      -1.629400     -0.9948000    
 H  -0.5462000      0.8783000      -1.597700    
 H   0.3232000       1.196300       1.317500    
 H    1.428300     -0.3859000      -1.050400    
 H   -2.836700     -6.6200003E-02  -1.982900    
 H   -1.050000      -1.573500      -1.362700    
 H   -1.787400      -2.166000      0.1297000    
 H   0.6998000      -2.419800     -4.4000000E-02
 H   -1.264300       3.097500      -1.260700    
 H   -1.735800       2.818200      0.4151000    
 H    2.329500     -0.1370000       1.865500    
 H   -3.826700       2.308200     -0.4212000    
 H   -3.230700       2.163100      -2.066900    
 H   0.9413000       3.203500      9.2299998E-02
 H    1.564600       2.243800      -1.247200    
 H    2.663300       2.343500       1.614800    
 H    3.419200       2.987300      0.1606000    
 H   -2.884700     -0.6300000       1.773500    
 H    2.691800      -2.518400      0.9438000    
 H    4.058700      -1.640200       1.584200    
 H   0.9951000      -1.981100       2.108700    
 H    3.406400      -1.935900      -1.393700    
 H    4.693900      -2.748700     -0.4784000    
 H    5.106400       1.535000     -0.7435000    
 H   -3.919900      -2.360100     -0.7043000    
 H   -4.754400      -1.594400      -2.085000    
 H   -6.597100      -1.437600     -0.7956000    


%chk=000127113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127113

0 1
O -0.050065 -1.536729 1.808534
O -1.974523 1.130923 2.152863
O -4.992914 -0.127342 0.494293
O -5.938280 -2.225883 -0.895610
O 6.132394 -0.975184 -1.415154
C -0.813952 1.132964 -0.553477
C -1.762417 0.003074 -0.057276
C 0.527491 1.122953 0.207318
C 1.204045 -0.275496 0.016567
C -3.046087 0.334101 -0.926226
C -1.119166 -1.374283 -0.320343
C 0.262059 -1.463831 0.365234
C -1.694147 2.412033 -0.561321
C 2.556090 -0.307426 0.823063
C -3.154020 1.891348 -0.805522
C 1.466466 2.260865 -0.258081
C 2.853519 2.200866 0.451384
C 3.431547 0.815653 0.275897
C -2.143116 0.114615 1.440151
C 3.319964 -1.656258 0.862554
C -4.306513 -0.412395 -0.529395
C 4.102971 -1.939357 -0.438082
C 4.584295 0.573456 -0.426546
C 5.044766 -0.783085 -0.790458
C -4.765191 -1.568873 -1.418536
H -0.582128 0.885620 -1.616034
H 0.317579 1.268648 1.285933
H 1.446733 -0.389587 -1.063547
H -2.788477 0.049995 -1.968182
H -0.993754 -1.524627 -1.410907
H -1.740401 -2.205850 0.064603
H 0.751245 -2.410219 0.052048
H -1.376015 3.118234 -1.348223
H -1.633765 2.925849 0.411734
H 2.295866 -0.026104 1.869234
H -3.806519 2.140172 0.048572
H -3.610332 2.321449 -1.714359
H 0.994623 3.239896 -0.053382
H 1.620469 2.193342 -1.354976
H 2.705449 2.420567 1.528725
H 3.528903 2.971621 0.039426
H -2.627885 -0.800574 1.853774
H 2.639342 -2.500038 1.082503
H 4.042612 -1.613435 1.701047
H 0.784388 -1.506272 2.340561
H 3.406691 -2.076804 -1.291422
H 4.699014 -2.865271 -0.361834
H 5.198463 1.403688 -0.798082
H -3.932534 -2.298802 -1.516557
H -4.967835 -1.165975 -2.435704
H -6.209448 -1.722233 -0.075183


