%chk=000184771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184771

0 1
O -0.177873 2.038979 -0.985886
O -2.526857 0.632075 0.109383
O 3.616435 -0.807787 -1.398793
O -4.713551 0.373619 -0.430614
O 5.370632 -2.099059 -1.677062
C -1.035516 2.462895 0.158629
C -2.500800 2.074149 -0.187396
C -0.456668 1.797452 1.429646
C 0.715114 1.016768 0.919483
C 0.788699 1.197691 -0.507822
C -2.803754 2.293663 -1.658822
C -3.470087 2.788703 0.744922
C 1.626871 0.220015 1.556744
C 1.746561 0.599693 -1.299155
C 2.642444 -0.421638 0.787155
C 2.675406 -0.218577 -0.614271
C -3.661206 -0.121118 -0.086864
C 3.643169 -1.271365 1.374234
C -3.377946 -1.555478 0.197096
C 4.586254 -1.862763 0.603065
C 4.636073 -1.673398 -0.830764
C -1.960460 -1.910118 0.488260
C -4.413848 -2.413273 0.158049
C -4.324822 -3.875013 0.404602
H -0.919149 3.566543 0.153721
H -1.202360 1.127878 1.909151
H -0.163157 2.548321 2.184209
H -3.820840 1.953709 -1.911820
H -2.728537 3.348057 -1.944188
H -2.102531 1.731508 -2.295296
H -3.280921 2.558101 1.798549
H -4.507430 2.470043 0.533865
H -3.442695 3.875758 0.619062
H 1.595841 0.065611 2.634443
H 1.805193 0.733053 -2.376281
H 3.620780 -1.425234 2.456666
H 5.361250 -2.512485 1.012465
H -1.806844 -2.994239 0.571889
H -1.289194 -1.537152 -0.303102
H -1.621932 -1.445692 1.426214
H -5.424069 -2.046610 -0.072259
H -4.924042 -4.163711 1.281837
H -3.296211 -4.223429 0.583990
H -4.714424 -4.443843 -0.454031


%chk=000184771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184771

0 1
O -0.218549 1.883327 -1.088960
O -2.536844 0.574521 0.064407
O 3.711774 -0.942229 -1.362096
O -4.845468 0.341906 -0.276855
O 5.588688 -2.280641 -1.523189
C -1.044547 2.442239 0.049297
C -2.531648 2.065716 -0.168185
C -0.393246 1.913086 1.368755
C 0.793270 1.099440 0.879730
C 0.808624 1.119938 -0.543845
C -2.979832 2.379681 -1.608207
C -3.406370 2.778143 0.886993
C 1.772493 0.383298 1.565591
C 1.768417 0.447895 -1.312931
C 2.779491 -0.319775 0.832264
C 2.751935 -0.271302 -0.600070
C -3.719977 -0.171371 -0.044386
C 3.833427 -1.082595 1.456320
C -3.437450 -1.631193 0.156866
C 4.786184 -1.747765 0.711522
C 4.789599 -1.723745 -0.747022
C -2.004196 -2.064430 0.386772
C -4.527244 -2.459169 0.104697
C -4.560318 -3.954898 0.263255
H -0.960915 3.540407 -0.043327
H -1.106611 1.280134 1.924629
H -0.086427 2.746973 2.024265
H -4.041985 2.123616 -1.740155
H -2.845030 3.457863 -1.812903
H -2.368190 1.815928 -2.330058
H -3.113310 2.496288 1.913649
H -4.463490 2.511180 0.737748
H -3.300512 3.873780 0.782835
H 1.787331 0.346941 2.661038
H 1.771942 0.469216 -2.404227
H 3.870635 -1.128839 2.551441
H 5.587511 -2.326908 1.176554
H -1.917417 -3.159553 0.472933
H -1.352994 -1.727527 -0.439291
H -1.594391 -1.612083 1.308519
H -5.496181 -1.970514 -0.077960
H -5.221256 -4.236811 1.106641
H -3.568731 -4.401593 0.439965
H -4.995194 -4.426272 -0.640116


