%chk=000228856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228856

0 1
O -1.005861 -0.032398 -1.537776
O 1.012330 1.605012 0.713227
O 1.326203 2.016095 -1.489507
C -1.135076 -0.320318 -0.097545
C 0.218764 -0.055122 -0.749840
C -1.532151 -1.740322 0.246314
C -1.794214 0.774692 0.714661
C 1.211629 -1.143638 -1.093854
C -3.055887 -1.890624 0.348227
C -3.310212 0.571398 0.823496
C -3.658478 -0.845669 1.295326
C 0.891491 1.299330 -0.625322
C 2.043022 -1.546812 0.128749
C 3.116103 -2.578635 -0.242488
C 3.937068 -2.997537 0.974598
C 1.651291 2.870861 1.073855
C 0.677959 4.013321 0.872337
H -1.054193 -2.021835 1.206667
H -1.141552 -2.445885 -0.515660
H -1.585850 1.767894 0.264797
H -1.325859 0.798330 1.721018
H 1.868913 -0.798409 -1.921766
H 0.670150 -2.019439 -1.510107
H -3.308140 -2.910801 0.692150
H -3.503957 -1.784299 -0.660715
H -3.777185 0.761412 -0.164512
H -3.737629 1.320753 1.515416
H -4.756652 -0.968430 1.344287
H -3.285707 -1.005666 2.324819
H 2.518124 -0.650336 0.576829
H 1.382102 -1.954050 0.918377
H 3.787188 -2.161882 -1.019824
H 2.642772 -3.469990 -0.699142
H 3.310254 -3.452994 1.749589
H 4.450834 -2.142652 1.429450
H 4.703895 -3.731227 0.700538
H 1.895581 2.685599 2.135505
H 2.570125 2.984757 0.471287
H 1.086288 4.959199 1.247652
H 0.449849 4.156102 -0.195521
H -0.273933 3.831615 1.386312


%chk=000228856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228856

0 1
O -1.121576 -0.123963 -1.542745
O 1.188270 1.597372 0.653882
O 0.921518 2.118196 -1.607977
C -1.155541 -0.341671 -0.021198
C 0.147225 -0.061398 -0.730166
C -1.542426 -1.750456 0.419140
C -1.894299 0.764420 0.727755
C 1.183371 -1.145460 -1.044548
C -3.077030 -1.951761 0.329845
C -3.427083 0.553586 0.642929
C -3.833413 -0.859880 1.122575
C 0.755518 1.331731 -0.652040
C 2.085488 -1.525386 0.153642
C 3.143683 -2.586959 -0.223199
C 4.041493 -2.982730 0.968294
C 1.863375 2.917698 0.874435
C 0.830235 4.016902 1.137175
H -1.213240 -1.888275 1.469966
H -1.024737 -2.509301 -0.192103
H -1.625152 1.751650 0.311525
H -1.566467 0.753136 1.786987
H 1.807417 -0.795594 -1.891041
H 0.641790 -2.037796 -1.408787
H -3.342538 -2.957856 0.706897
H -3.379752 -1.910509 -0.735001
H -3.746044 0.690485 -0.409025
H -3.942408 1.327499 1.243320
H -4.926179 -0.998897 1.014325
H -3.601770 -0.963534 2.203513
H 2.591357 -0.622686 0.546979
H 1.456263 -1.911345 0.981066
H 3.773355 -2.197434 -1.049214
H 2.634766 -3.489072 -0.620364
H 3.440266 -3.404937 1.795650
H 4.584852 -2.104005 1.364086
H 4.791454 -3.740085 0.675182
H 2.507063 2.734571 1.749609
H 2.478387 3.149723 -0.013021
H 1.347399 4.961710 1.388053
H 0.210032 4.192294 0.242322
H 0.174477 3.747419 1.983179


