%chk=000186328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186328

0 1
O 2.025800 -0.542842 1.263672
O 0.124391 -0.849877 -0.174271
O 4.444171 -1.432794 -1.930928
O 2.218365 -3.039736 -1.306124
O 5.070920 0.703205 0.160466
O 0.595371 1.998498 0.960857
O 1.450141 1.891530 -1.180811
C 3.688696 -1.151233 -0.708507
C 2.250648 -1.614408 -0.989653
C 3.733431 0.344055 -0.341908
C 1.385108 -1.418081 0.271239
C 2.596255 0.688715 0.658794
C 1.502422 1.565453 0.010294
C -0.986043 -0.822552 0.708326
C -2.106679 -0.067010 0.212643
C -3.306864 -0.020655 1.018923
C -1.029318 -1.465079 1.946967
C -2.058377 0.646474 -1.030389
C -3.346279 -0.711244 2.274846
C -2.226370 -1.410491 2.726172
C -3.156816 1.385679 -1.489894
C -4.421027 0.737459 0.527882
C -4.348282 1.420265 -0.686163
C -3.113844 2.122336 -2.816548
H 4.098618 -1.745721 0.138327
H 1.839901 -1.010557 -1.824332
H 3.621641 0.947739 -1.257354
H 1.246220 -2.379702 0.792127
H 2.999918 1.242454 1.523446
H 5.346630 -1.032933 -1.844412
H 2.859447 -3.187558 -2.049364
H 5.252796 0.190510 0.991369
H -0.158031 -1.988150 2.348292
H -1.141926 0.594396 -1.627089
H -4.260419 -0.671937 2.877737
H -2.248620 -1.923650 3.693417
H -0.168021 2.464695 0.521071
H -5.336091 0.777122 1.130954
H -5.210867 1.997222 -1.041798
H -3.714942 1.594483 -3.582305
H -3.529797 3.143045 -2.727033
H -2.082872 2.204178 -3.200444


%chk=000186328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186328

0 1
O 2.048057 -0.603494 1.282956
O 0.137949 -0.733486 -0.176212
O 4.433384 -1.395928 -1.961365
O 2.133950 -2.935293 -1.442610
O 5.152373 0.568229 0.264701
O 0.738260 2.009956 1.160016
O 1.598438 2.030825 -1.000186
C 3.688762 -1.160181 -0.722483
C 2.231811 -1.537060 -1.033090
C 3.800985 0.304654 -0.259612
C 1.370235 -1.382561 0.235945
C 2.678791 0.635438 0.762161
C 1.629906 1.607319 0.176045
C -0.978760 -0.735373 0.698814
C -2.128178 -0.039305 0.182457
C -3.328837 -0.017998 0.989171
C -0.996649 -1.347393 1.954069
C -2.112117 0.632766 -1.084135
C -3.341168 -0.675668 2.263213
C -2.195471 -1.319753 2.731822
C -3.240707 1.309610 -1.564472
C -4.474386 0.676800 0.476845
C -4.431965 1.320531 -0.759360
C -3.229495 2.016620 -2.907596
H 4.069353 -1.826955 0.083146
H 1.853133 -0.861255 -1.827013
H 3.720000 0.971436 -1.133668
H 1.181284 -2.366342 0.697178
H 3.106151 1.110824 1.661428
H 5.353827 -1.046760 -1.848684
H 2.770912 -3.064208 -2.192919
H 5.308609 -0.007353 1.058727
H -0.102163 -1.818265 2.368603
H -1.194097 0.600845 -1.679364
H -4.256369 -0.655626 2.865543
H -2.198162 -1.807394 3.712460
H 0.010676 2.559012 0.758462
H -5.390323 0.695623 1.079620
H -5.319170 1.847211 -1.132393
H -3.969519 1.570697 -3.599408
H -3.491219 3.086666 -2.801958
H -2.238684 1.955895 -3.388358


