%chk=000180892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180892

0 1
O -0.931613 1.785566 -0.549698
O -2.897549 1.874732 1.388628
O 1.377954 -2.228603 -0.540094
O 0.430504 -2.319852 1.944369
O 3.502318 -0.760792 -0.142827
C -1.398936 -0.980161 -0.109264
C -0.003539 -0.422626 0.356583
C -1.910936 -0.282895 -1.420306
C -2.172973 1.137089 -0.880472
C -2.490522 -0.502043 0.912025
C -0.092854 1.138177 0.449073
C -3.016776 0.856779 0.398923
C 1.166175 -0.809510 -0.578821
C -1.410957 -2.492914 -0.256005
C 0.342068 -0.909032 1.799751
C -1.066244 -0.319803 -2.677991
C 1.193234 1.906967 0.295171
C 2.482571 -0.108454 -0.200167
C 2.384650 1.360903 0.020861
C 3.651603 2.132563 -0.094926
H -2.893831 -0.757306 -1.681242
H -2.614504 1.857705 -1.591148
H -2.106871 -0.418198 1.944960
H -3.307087 -1.239425 0.980683
H -0.559857 1.406493 1.436720
H -4.107331 0.831413 0.189775
H 0.926984 -0.552402 -1.646397
H -1.214151 -2.987750 0.710262
H -2.370434 -2.866191 -0.625414
H -0.632608 -2.843024 -0.950141
H -0.462808 -0.640012 2.518819
H 1.298977 -0.470030 2.141375
H -1.598984 0.132392 -3.523873
H -0.125557 0.242836 -2.561031
H -0.817904 -1.351732 -2.959716
H 1.072665 2.988287 0.415388
H -2.098810 2.430493 1.232204
H 2.361176 -2.425966 -0.566590
H 0.931574 -2.719704 1.174814
H 3.659896 3.031076 0.536333
H 3.823211 2.459582 -1.132270
H 4.524073 1.520874 0.194574


%chk=000180892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180892

0 1
O -0.834580 1.759741 -0.662227
O -2.763655 1.959213 1.418188
O 1.489938 -2.236920 -0.672454
O 0.639216 -2.393646 1.900972
O 3.596406 -0.686759 -0.496165
C -1.408189 -0.999635 -0.073578
C 0.031713 -0.450955 0.357108
C -1.947551 -0.316144 -1.398961
C -2.149283 1.130758 -0.910933
C -2.502389 -0.456689 0.930745
C -0.066732 1.115880 0.454850
C -2.975512 0.925203 0.392490
C 1.183327 -0.795925 -0.637303
C -1.494786 -2.538569 -0.189168
C 0.467451 -0.949526 1.782753
C -1.216319 -0.446728 -2.749445
C 1.238419 1.876567 0.449215
C 2.503301 -0.056883 -0.325179
C 2.452839 1.360477 0.090788
C 3.751820 2.131383 0.128451
H -2.957816 -0.761928 -1.534195
H -2.625919 1.806435 -1.642791
H -2.149884 -0.352962 1.969031
H -3.343071 -1.172394 0.950173
H -0.616170 1.358563 1.388457
H -4.051643 0.902447 0.123168
H 0.899013 -0.469119 -1.654765
H -1.338355 -3.022775 0.787819
H -2.500193 -2.812300 -0.564992
H -0.741916 -2.943412 -0.885061
H -0.287533 -0.672714 2.537478
H 1.412055 -0.430858 2.061462
H -1.930698 -0.291610 -3.579438
H -0.424484 0.314689 -2.862850
H -0.773631 -1.450371 -2.881667
H 1.164339 2.931703 0.744008
H -2.745509 2.847843 0.979547
H 2.483559 -2.288909 -0.816986
H 1.064172 -2.698176 1.045051
H 3.593899 3.167921 0.469684
H 4.222972 2.153554 -0.871117
H 4.477376 1.639033 0.800737


