%chk=000188652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188652

0 1
O -1.877410 0.477823 0.840480
O 0.627067 1.462125 -0.354370
O -3.618273 -3.018349 1.329628
O 0.527813 -0.402068 1.574219
O 0.452985 -1.706370 -0.250241
C -2.488212 0.077277 -0.449699
C -1.556950 1.877835 0.492623
C -0.712256 1.687016 -0.826309
C -1.360367 0.434512 -1.458098
C -3.615355 1.144380 -0.565546
C -2.962976 2.396227 0.073610
C -2.853838 -1.398694 -0.345836
C -0.869059 2.520304 1.656750
C -3.731055 -1.658474 0.893817
C -3.527876 -1.885570 -1.627831
C 1.640470 1.240795 -1.365305
C 2.759717 0.546076 -0.628446
C 2.493125 -0.506010 0.267642
C 4.087143 0.941142 -0.840892
C 3.533094 -1.144425 0.950035
C 5.128170 0.293756 -0.168064
C 1.081285 -0.946841 0.463733
C 4.854296 -0.744400 0.727438
H -0.715150 2.569386 -1.487106
H -1.742776 0.615489 -2.469801
H -0.633286 -0.400088 -1.536301
H -4.514985 0.836884 -0.011158
H -3.923671 1.315069 -1.605596
H -2.914362 3.247863 -0.617379
H -3.527828 2.734652 0.956991
H -1.888823 -1.973012 -0.198983
H -0.658260 3.580138 1.480648
H -1.454796 2.427704 2.579897
H 0.104887 2.019516 1.841512
H -3.366132 -1.089778 1.775266
H -4.795189 -1.430160 0.715482
H -2.865669 -1.769147 -2.494910
H -4.454887 -1.341919 -1.840261
H -3.777122 -2.951432 -1.563298
H 1.933583 2.227919 -1.764812
H 1.247744 0.606132 -2.182404
H -3.814039 -3.633752 0.597101
H 4.312852 1.756263 -1.526347
H 3.312081 -1.949497 1.652297
H 6.158356 0.604963 -0.340270
H 5.667569 -1.241000 1.254514
H -0.503936 -0.447657 1.549080


%chk=000188652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188652

0 1
O -1.803376 0.445631 0.876029
O 0.670046 1.469590 -0.428666
O -3.863729 -3.256743 1.024566
O 0.552745 -0.563327 1.704775
O 0.552438 -1.625349 -0.357655
C -2.506984 0.062006 -0.413109
C -1.523734 1.889118 0.501613
C -0.721352 1.705033 -0.829208
C -1.443573 0.478620 -1.483976
C -3.657170 1.112505 -0.433719
C -2.954406 2.390485 0.134587
C -2.871326 -1.432226 -0.385545
C -0.824562 2.607410 1.642602
C -3.714117 -1.802995 0.861272
C -3.584092 -1.846979 -1.696665
C 1.653547 1.058149 -1.445402
C 2.819926 0.470911 -0.666510
C 2.569776 -0.490359 0.357673
C 4.147445 0.893285 -0.896447
C 3.631204 -0.993932 1.138790
C 5.216731 0.365699 -0.135204
C 1.152532 -0.960288 0.532510
C 4.957692 -0.573660 0.887306
H -0.775525 2.613056 -1.466124
H -1.908457 0.740940 -2.449733
H -0.739601 -0.355591 -1.638545
H -4.489075 0.800682 0.218639
H -4.057079 1.260461 -1.451712
H -2.918776 3.220992 -0.592770
H -3.461841 2.756589 1.042622
H -1.917797 -1.991879 -0.315179
H -0.640730 3.661990 1.369239
H -1.457605 2.588347 2.547274
H 0.145646 2.136770 1.862842
H -3.201285 -1.473842 1.778144
H -4.713566 -1.316841 0.819060
H -2.979665 -1.586789 -2.583318
H -4.573494 -1.360415 -1.797243
H -3.733464 -2.942441 -1.730744
H 1.980013 1.930740 -2.047142
H 1.212793 0.297476 -2.122187
H -4.371615 -3.617887 0.255057
H 4.347021 1.648645 -1.666036
H 3.422194 -1.715577 1.935336
H 6.242300 0.698620 -0.328729
H 5.780505 -0.972183 1.490583
H -0.448859 -0.421842 1.534548


