%chk=000250207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250207

0 1
O 4.638925 0.902033 0.454608
O -5.250435 1.124656 -1.108801
C 2.274077 0.495965 0.201166
C 1.515094 -0.761232 -0.332279
C 0.122467 -0.874794 0.304251
C -0.684305 0.397149 -0.098997
C 3.695930 0.263315 -0.426761
C -2.106216 0.351221 0.523804
C 1.501457 1.742043 -0.263455
C 2.513470 -1.916399 -0.136895
C 0.058168 1.697945 0.269060
C 3.900894 -1.281256 -0.373185
C -0.598351 -2.152556 -0.167989
C -2.762732 -0.984220 0.117758
C 2.426279 0.518621 1.729632
C -2.028543 -2.248426 0.388294
C -3.061061 1.412241 -0.094301
C 3.892164 0.825622 -1.833020
C -2.095413 0.465700 2.051604
C -3.946807 -0.815197 -0.493458
C -4.256103 0.629777 -0.639576
H 1.368843 -0.634654 -1.436166
H 0.218236 -0.909675 1.415299
H -0.806010 0.378452 -1.211737
H 1.490428 1.811993 -1.366004
H 2.007955 2.657975 0.094700
H 2.322295 -2.743578 -0.837502
H 2.442178 -2.341732 0.878392
H 0.075384 1.822795 1.370636
H -0.502979 2.566952 -0.122871
H 4.592882 -1.530524 0.449910
H 4.361637 -1.664535 -1.295052
H -0.022021 -3.043943 0.143632
H -0.630522 -2.184096 -1.274591
H 2.904643 -0.392253 2.104033
H 3.074400 1.354527 2.032036
H 1.465540 0.632697 2.238968
H -2.004258 -2.439903 1.482711
H -2.549532 -3.121762 -0.054239
H -2.586997 1.988017 -0.907459
H -3.392482 2.166896 0.637948
H 4.862382 0.544099 -2.255153
H 3.122960 0.464656 -2.524878
H 3.848086 1.922192 -1.825079
H -1.429420 -0.276496 2.507863
H -1.749536 1.454291 2.375951
H -3.096908 0.315704 2.472291
H -4.625315 -1.561468 -0.867755
H 5.535973 0.891063 0.077856


%chk=000250207-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250207

0 1
O 4.736455 1.068530 0.277179
O -5.278132 1.168227 -1.284430
C 2.327394 0.502088 0.237702
C 1.546833 -0.752562 -0.269794
C 0.135355 -0.882257 0.341828
C -0.671968 0.414207 -0.007428
C 3.717721 0.287198 -0.466780
C -2.150610 0.362236 0.531715
C 1.527436 1.768077 -0.157299
C 2.551422 -1.922427 -0.096329
C 0.081790 1.707255 0.409454
C 3.953809 -1.263630 -0.325500
C -0.592685 -2.148338 -0.174596
C -2.781304 -0.967356 0.078034
C 2.554075 0.478495 1.776548
C -2.051531 -2.251133 0.359733
C -3.077887 1.430888 -0.126706
C 3.769285 0.730211 -1.945395
C -2.220838 0.466717 2.084956
C -3.951730 -0.788878 -0.608597
C -4.261234 0.651553 -0.742561
H 1.390018 -0.613032 -1.363805
H 0.230809 -0.968499 1.444625
H -0.755657 0.428677 -1.119808
H 1.467343 1.846626 -1.261196
H 2.038044 2.680023 0.208057
H 2.358244 -2.744289 -0.808441
H 2.476259 -2.350286 0.921635
H 0.117508 1.784151 1.512024
H -0.484828 2.591277 0.056543
H 4.622540 -1.441099 0.535869
H 4.453055 -1.672792 -1.223547
H -0.032452 -3.055632 0.120949
H -0.615093 -2.127873 -1.283969
H 3.114293 -0.415575 2.099935
H 3.150332 1.356746 2.072586
H 1.602362 0.497685 2.333616
H -2.011871 -2.428433 1.454718
H -2.574026 -3.114117 -0.090922
H -2.565615 1.979169 -0.940482
H -3.451963 2.189977 0.582301
H 4.750477 0.461462 -2.384560
H 2.994456 0.235484 -2.558352
H 3.643729 1.823009 -2.035266
H -1.608371 -0.305002 2.584614
H -1.868202 1.454201 2.429293
H -3.264810 0.344592 2.426665
H -4.590954 -1.573236 -1.021988
H 5.597519 0.997582 -0.207627


