%chk=000104486.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104486

0 1
O -3.899863 -1.130186 0.357357
O -3.778621 1.145448 -0.041223
C 1.223858 0.006623 0.179074
C 2.616972 0.017498 0.822581
C 0.114744 0.077972 1.237655
C 3.724726 -0.053735 -0.237243
C -1.272914 0.067734 0.587845
C 5.118387 -0.043347 0.405346
C -2.390114 0.137744 1.636623
C 6.225486 -0.114286 -0.654823
C -3.778540 0.146794 0.987738
C 7.620326 -0.103855 -0.013543
C 8.726235 -0.174160 -1.064444
C -5.084876 -1.333121 -0.455381
C -4.952173 1.995177 -0.115903
C -4.990076 -2.786162 -0.886079
C -4.881592 2.612122 -1.501549
H 1.098438 -0.906804 -0.434069
H 1.126218 0.855945 -0.524429
H 2.740858 0.930745 1.435677
H 2.713066 -0.832629 1.525046
H 0.209533 -0.773498 1.938677
H 0.238835 0.991005 1.850748
H 3.599844 -0.966872 -0.850609
H 3.627838 0.796117 -0.940025
H -1.412379 -0.845591 -0.026533
H -1.382535 0.916723 -0.118096
H 5.214668 -0.893660 1.107618
H 5.242571 0.869672 1.018854
H -2.278450 1.048439 2.255184
H -2.323203 -0.732577 2.320092
H 6.129875 0.735137 -1.358045
H 6.102146 -1.026883 -1.268978
H -4.612522 0.298227 1.699536
H 7.745385 0.809855 0.599776
H 7.717674 -0.954828 0.688643
H 8.681786 0.676323 -1.754138
H 8.653270 -1.087219 -1.666119
H 9.717321 -0.166929 -0.597581
H -5.034472 -0.633381 -1.309150
H -5.980317 -1.130486 0.155579
H -4.861847 2.750582 0.685189
H -5.867534 1.398891 0.032783
H -4.036074 -2.976669 -1.398518
H -5.016475 -3.460437 -0.020347
H -5.804167 -3.059655 -1.563933
H -3.913817 3.111678 -1.655030
H -4.957688 1.845465 -2.283679
H -5.675711 3.348557 -1.658352


%chk=000104486-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104486

0 1
O -3.931648 -1.239551 0.235949
O -3.932532 1.125000 -0.234762
C 1.304691 -0.034470 0.089651
C 2.697807 0.059714 0.751642
C 0.137138 0.122484 1.090027
C 3.864329 -0.095549 -0.250282
C -1.250811 0.020972 0.420455
C 5.258302 -0.003902 0.410697
C -2.404099 0.174332 1.436020
C 6.424080 -0.154517 -0.592872
C -3.796967 0.089029 0.805204
C 7.818663 -0.063401 0.067843
C 8.976408 -0.209847 -0.943664
C -5.244346 -1.496281 -0.382625
C -5.124597 1.983870 -0.103827
C -5.268858 -2.962966 -0.810662
C -5.113767 2.952737 -1.285998
H 1.210413 -1.011192 -0.429432
H 1.218388 0.743916 -0.697101
H 2.790843 1.035882 1.272796
H 2.783764 -0.720467 1.537061
H 0.226044 -0.655089 1.878291
H 0.229305 1.101285 1.607395
H 3.770062 -1.070802 -0.772594
H 3.778764 0.685425 -1.034814
H -1.353355 -0.954780 -0.090859
H -1.353287 0.800471 -0.358740
H 5.345149 -0.787115 1.192962
H 5.351357 0.970182 0.935664
H -2.326132 1.152203 1.951045
H -2.330727 -0.614976 2.210068
H 6.338544 0.629137 -1.374799
H 6.332166 -1.128147 -1.118772
H -4.601806 0.248056 1.565434
H 7.908346 0.908176 0.595746
H 7.904359 -0.848547 0.846802
H 8.930530 0.582996 -1.714155
H 8.926292 -1.185084 -1.464118
H 9.961960 -0.142014 -0.446869
H -5.376023 -0.822404 -1.252883
H -6.050732 -1.280310 0.355886
H -5.087888 2.539397 0.858280
H -6.049451 1.366828 -0.108450
H -4.455307 -3.165003 -1.528611
H -5.131942 -3.626046 0.060976
H -6.232336 -3.208938 -1.293724
H -4.189960 3.556575 -1.280033
H -5.155835 2.399965 -2.240436
H -5.981198 3.636268 -1.235012


