%chk=000196955.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196955

0 1
O -2.398018 -1.185923 2.516172
O 0.487908 -0.916917 1.188449
O -0.197662 1.343791 1.052487
O 0.605911 -1.318298 -1.134451
O 3.317018 -1.543094 1.314740
O -4.723849 0.704707 0.794658
O -4.710352 -0.083548 -1.779451
O 4.843242 0.068389 -1.978364
C -1.451755 -0.094233 2.379405
C -0.648357 -0.050584 1.084690
C -2.939010 0.148592 2.259307
C 1.343374 -0.829229 0.033098
C -1.404957 -0.369907 -0.174383
C -3.577683 0.298682 0.889237
C 1.755357 0.591804 -0.172924
C -2.794350 -0.115141 -0.283869
C 2.525392 -1.833735 0.159948
C -0.718988 -0.945657 -1.232105
C 0.959564 1.617164 0.352100
C 3.476955 -1.616265 -1.018701
C 2.957417 0.917361 -0.818154
C -3.409443 -0.346554 -1.523391
C 3.855256 -0.177760 -1.323930
C -1.356468 -1.228018 -2.474964
C 1.315591 2.971386 0.225987
C -2.685668 -0.912875 -2.620705
C 3.323153 2.256476 -0.959565
C 2.500044 3.272703 -0.441122
C 2.776230 -2.036520 2.560285
H -0.889523 0.152625 3.286817
H -3.515030 0.578881 3.087821
H 2.131479 -2.874117 0.199342
H 3.035778 -2.060280 -1.940723
H 4.416642 -2.189210 -0.831227
H -0.772514 -1.679633 -3.279327
H 0.674125 3.745060 0.644529
H -3.223324 -1.086450 -3.555872
H 4.256703 2.508415 -1.470357
H 2.800069 4.316033 -0.561090
H 2.727706 -3.128296 2.549665
H 1.791166 -1.592684 2.753938
H 3.516376 -1.680501 3.287854
H -5.191205 0.336159 -0.971953


%chk=000196955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196955

0 1
O -2.535680 -1.308138 2.423138
O 0.474511 -1.003243 1.260267
O -0.231016 1.322504 1.156159
O 0.622874 -1.428263 -1.125803
O 3.401964 -1.419019 1.364414
O -4.779784 0.797530 0.702610
O -4.733510 0.113987 -1.800188
O 4.845941 0.074366 -2.030562
C -1.548539 -0.197701 2.354269
C -0.679608 -0.111424 1.115467
C -3.004565 0.133320 2.197483
C 1.338442 -0.882587 0.076870
C -1.400166 -0.402163 -0.180590
C -3.577338 0.351739 0.825516
C 1.716776 0.564404 -0.147944
C -2.777856 -0.057920 -0.327389
C 2.572487 -1.801399 0.229291
C -0.713665 -1.001545 -1.244125
C 0.924679 1.598020 0.395281
C 3.449087 -1.643392 -1.024663
C 2.910517 0.893015 -0.844535
C -3.422617 -0.244073 -1.594325
C 3.816425 -0.192344 -1.349197
C -1.369697 -1.235489 -2.484007
C 1.284413 2.952664 0.232649
C -2.702240 -0.843739 -2.664079
C 3.269910 2.249494 -1.025050
C 2.454985 3.270703 -0.490061
C 3.010272 -2.007280 2.655739
H -1.031968 0.038505 3.291016
H -3.569275 0.569599 3.026822
H 2.208460 -2.845350 0.330403
H 2.911922 -2.056825 -1.898973
H 4.382960 -2.215050 -0.899155
H -0.807725 -1.706081 -3.296179
H 0.648691 3.729866 0.667057
H -3.214593 -0.991723 -3.618286
H 4.192238 2.474512 -1.568824
H 2.731439 4.321043 -0.627871
H 2.924086 -3.110338 2.574785
H 2.054533 -1.590934 3.018724
H 3.826406 -1.751407 3.349044
H -5.089877 0.524954 -0.931298


