%chk=000100127.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100127

0 1
 O    1.585700      0.7987000      0.3680000    
 O   -1.326500      0.9451000       1.177400    
 O    1.404800       3.108900      0.3178000    
 O   -1.657700      -1.955800       2.082700    
 C    2.931000      0.2521000      0.4526000    
 C    3.217500     -0.6541000     -0.7455000    
 C    3.518600       1.660300      0.4577000    
 C    2.589700      -2.053000     -0.5885000    
 C    2.040700       2.080300      0.3675000    
 C   -2.858900     -0.7429000      0.3707000    
 C   -2.079100      0.5456000      2.6400000E-02
 C    4.734700     -0.8048000     -0.9046000    
 C   -2.938000       1.740300     -0.4711000    
 C    1.113900      -2.123700     -0.9364000    
 C    4.225500       2.129300       1.704800    
 C   -1.259200      -2.730000     -0.1702000    
 C   -1.897500      -1.823800      0.8812000    
 C   0.2308000      -2.577700     -2.4700001E-02
 C   -2.116700       3.035400     -0.6529000    
 C   -3.935300     -0.5427000       1.433400    
 C   -3.647700       1.355200      -1.778900    
 C   0.7650000      -1.696000      -2.335400    
 C   -1.682400      -4.183800      3.0900000E-02
 C   -2.958900       4.237100      -1.062900    
 H    3.067600     -0.2713000       1.408900    
 H    2.859600     -0.1735000      -1.664000    
 H    4.059600       1.947600     -0.4511000    
 H    3.099100      -2.760300      -1.257400    
 H    2.772600      -2.424600      0.4282000    
 H   -3.350400      -1.144900     -0.5218000    
 H   -1.334800      0.3064000     -0.7430000    
 H    5.185800      -1.226600      5.0000002E-04
 H    4.976500      -1.464400      -1.745200    
 H    5.222300      0.1548000      -1.099700    
 H   -3.700500       1.962700      0.2856000    
 H    4.392500       3.210900       1.672800    
 H    5.202200       1.643600       1.797800    
 H    3.651000       1.904200       2.609700    
 H   -1.603200      -2.406200      -1.155500    
 H   0.6261000      -2.878200      0.9463000    
 H   -1.326000       2.876900      -1.396100    
 H   -1.617900       3.285500      0.2907000    
 H   -4.738500      0.1036000       1.066800    
 H   -4.393600      -1.500900       1.705300    
 H   -3.538000     -0.1024000       2.353700    
 H   -4.281900      0.4737000      -1.650200    
 H   -4.310300       2.152800      -2.127100    
 H   -2.923700       1.142700      -2.572600    
 H   0.7077000     -0.6052000      -2.401000    
 H    1.522900      -2.048200      -3.043700    
 H  -0.1877000      -2.105500      -2.679600    
 H   -1.237200      -4.831500     -0.7319000    
 H   -2.772000      -4.277600     -3.5799999E-02
 H   -1.383400      -4.561500       1.015500    
 H   -1.944300       1.325300       1.824200    
 H   -3.811100       4.371600     -0.3896000    
 H   -3.331100       4.141500      -2.086800    
 H   -2.351100       5.147300      -1.023700    


%chk=000100127-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100127

0 1
O 1.423961 0.646236 -1.419690
O -0.884369 0.634591 1.336272
O 1.505372 2.942783 -2.065658
O -1.928059 -2.467655 1.911668
C 2.352749 0.280451 -0.218799
C 3.342977 -0.828579 -0.597021
C 2.835074 1.764957 -0.178544
C 2.717484 -2.259666 -0.457144
C 1.871371 2.001862 -1.356478
C -2.807264 -0.711284 0.461974
C -1.830286 0.492473 0.200661
C 4.615101 -0.754240 0.287845
C -2.559952 1.835968 -0.096402
C 1.297914 -2.406958 -0.991995
C 2.542335 2.573540 1.096481
C -1.212809 -2.634912 -0.410280
C -1.982921 -1.973715 0.753336
C 0.276580 -2.557422 -0.101872
C -1.524383 2.961630 -0.369602
C -3.833312 -0.442859 1.584182
C -3.545508 1.686939 -1.281915
C 1.129325 -2.339589 -2.497542
C -1.691825 -4.111811 -0.552545
C -2.121152 4.384332 -0.319950
H 1.690589 0.011365 0.621454
H 3.636618 -0.658105 -1.653258
H 3.885158 1.897270 -0.496247
H 3.400899 -2.969989 -0.967005
H 2.725731 -2.522185 0.619323
H -3.342166 -0.886802 -0.493607
H -1.161109 0.253428 -0.646294
H 4.354793 -0.814696 1.361749
H 5.285547 -1.602712 0.059819
H 5.187262 0.176425 0.124935
H -3.135770 2.122009 0.810977
H 2.667161 3.654490 0.907522
H 3.233776 2.283537 1.907868
H 1.508268 2.394116 1.440271
H -1.437576 -2.093598 -1.348306
H 0.513928 -2.630945 0.969452
H -1.049134 2.791616 -1.355392
H -0.718619 2.881104 0.383858
H -4.498631 0.399246 1.328612
H -4.454055 -1.338959 1.754899
H -3.340362 -0.227384 2.550248
H -4.386694 1.007205 -1.054258
H -3.981323 2.665100 -1.550291
H -3.021150 1.300186 -2.177207
H 1.386861 -1.331297 -2.871891
H 1.804936 -3.062874 -2.995255
H 0.099387 -2.565303 -2.820555
H -1.126948 -4.612901 -1.357960
H -2.770857 -4.167989 -0.791704
H -1.516781 -4.654490 0.392096
H -1.407490 0.683356 2.177170
H -2.578885 4.592282 0.666766
H -2.899008 4.538403 -1.090633
H -1.333962 5.140318 -0.493940


