%chk=000184364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184364

0 1
O -0.795222 -0.464156 -0.687759
O 1.455130 -2.208377 0.091352
O -1.175907 1.185986 -2.190132
O -0.571816 2.539080 2.669497
O -2.235061 3.991061 2.341329
O -2.385030 -4.809063 -1.108698
O 0.285944 -5.819986 2.792098
O 2.040277 2.625452 1.584389
O 4.010869 3.447623 -0.107673
C -1.856994 1.408274 0.192273
C -1.207888 2.797418 0.406474
C -3.389478 1.479151 0.071495
C -1.732493 3.849802 -0.584893
C -3.845163 2.525228 -0.952135
C -3.263537 3.903800 -0.618678
C -1.266672 0.777862 -1.059420
C -0.076918 -1.273253 -1.670249
C 1.371172 -1.456075 -1.167312
C -1.459241 3.224862 1.836526
C -0.819694 -2.607788 -1.746637
C -0.516769 -3.489405 -0.579096
C 2.073282 -0.158997 -0.858899
C 0.572248 -3.233739 0.279720
C -1.334442 -4.586437 -0.256474
C 0.840872 -4.014821 1.415433
C 1.705283 0.574521 0.283514
C 3.078735 0.308504 -1.712503
C -1.110920 -5.408879 0.856687
C -0.014874 -5.087846 1.676524
C 2.338780 1.786038 0.534497
C 3.729374 1.520774 -1.452843
C 3.361710 2.263624 -0.329117
H -1.598097 0.747173 1.067647
H -0.093174 2.707060 0.266979
H -3.814393 1.723220 1.067095
H -3.792624 0.481857 -0.192873
H -1.347886 3.591605 -1.597972
H -1.318874 4.846053 -0.338491
H -4.949746 2.571932 -0.976858
H -3.524320 2.220233 -1.970503
H -3.596037 4.648452 -1.366146
H -3.649253 4.257955 0.360404
H -0.081792 -0.733340 -2.648850
H 1.937206 -2.077895 -1.903957
H -0.568565 -3.131719 -2.693932
H -1.917611 -2.418944 -1.792713
H 1.684252 -3.792088 2.063440
H -0.694055 2.764267 3.628952
H 0.940326 0.175294 0.952954
H 3.369166 -0.265914 -2.591786
H -1.752454 -6.247949 1.076435
H 4.514820 1.894094 -2.109097
H -2.932805 -5.586588 -0.832078
H -0.343212 -6.571527 2.932063
H 1.295523 2.261130 2.152514
H 3.684248 3.877800 0.734783


%chk=000184364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184364

0 1
O -0.799986 -0.495104 -0.591356
O 1.337902 -2.189134 0.315612
O -1.122930 1.252115 -2.112807
O -0.253258 2.899566 2.575992
O -2.272043 4.022569 2.395900
O -2.275045 -4.927659 -1.447248
O -0.032932 -6.020786 2.814254
O 2.260043 2.852823 1.465197
O 4.210741 3.489551 -0.253325
C -1.842687 1.474277 0.262022
C -1.277702 2.946039 0.368707
C -3.401302 1.447624 0.224183
C -1.975468 3.939941 -0.599976
C -3.997107 2.405140 -0.830868
C -3.518679 3.853965 -0.583373
C -1.234207 0.783405 -0.956660
C -0.003770 -1.280493 -1.582005
C 1.417076 -1.472049 -0.987639
C -1.379041 3.374775 1.821907
C -0.695709 -2.630383 -1.803320
C -0.502725 -3.554551 -0.616325
C 2.184682 -0.188779 -0.759768
C 0.469486 -3.292931 0.383700
C -1.319171 -4.693544 -0.435694
C 0.618125 -4.112178 1.523643
C 1.845815 0.670117 0.319615
C 3.221130 0.184436 -1.647251
C -1.197903 -5.544414 0.685914
C -0.221421 -5.231137 1.664685
C 2.513936 1.896912 0.465778
C 3.910067 1.409030 -1.485672
C 3.556111 2.268825 -0.431431
H -1.506594 0.891447 1.137890
H -0.199864 2.908315 0.124025
H -3.769565 1.740499 1.227620
H -3.736148 0.407355 0.051647
H -1.611925 3.700520 -1.615719
H -1.646886 4.969752 -0.364216
H -5.101570 2.355709 -0.785630
H -3.696076 2.081314 -1.846007
H -3.922734 4.525197 -1.364582
H -3.904828 4.213697 0.388949
H 0.056475 -0.695449 -2.516857
H 1.970898 -2.118709 -1.701051
H -0.286132 -3.088443 -2.726233
H -1.771249 -2.474020 -1.996212
H 1.376057 -3.884563 2.275562
H -0.371685 3.144767 3.533284
H 1.086418 0.356157 1.042774
H 3.499919 -0.481628 -2.472183
H -1.843459 -6.426319 0.795784
H 4.713747 1.707499 -2.164685
H -2.824597 -5.721761 -1.235122
H -0.656992 -6.787847 2.822078
H 1.374348 2.736414 1.923220
H 3.806614 3.934531 0.540573


