%chk=000188448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188448

0 1
O -2.846901 -2.525166 0.120751
O 1.759603 -1.984598 1.229474
O -3.930714 0.315304 2.006832
C -0.597507 0.552810 -0.277219
C -1.861172 -0.263300 0.135542
C 0.687837 -0.072546 0.380515
C -3.209978 0.327307 -0.383140
C -1.686064 -1.751726 -0.226966
C 0.823665 -1.607519 0.180271
C -0.731972 2.001486 0.290745
C -0.484783 -2.347860 0.511059
C -3.110358 1.863946 -0.559295
C -2.173487 2.489494 0.471814
C -0.443997 0.605635 -1.805906
C 1.957843 0.686275 -0.060108
C -4.322630 0.005935 0.660958
C -3.677016 -0.282409 -1.715410
C 1.403067 -2.057582 -1.160264
C 3.126038 0.511427 0.922567
C 4.398108 1.080137 0.349526
C 5.336065 0.145988 -0.309733
C 4.685054 2.385338 0.428984
C 4.975419 -0.953864 -0.970908
H -1.912526 -0.202905 1.260081
H 0.583642 0.059966 1.492142
H -1.617161 -1.921324 -1.324506
H -0.191458 2.701021 -0.375673
H -0.214654 2.072596 1.268000
H -0.647614 -2.312282 1.607912
H -0.407166 -3.425119 0.273623
H -4.113275 2.324210 -0.504112
H -2.736641 2.098985 -1.577597
H -2.531818 2.246883 1.498776
H -2.206053 3.593311 0.397950
H 0.347734 1.295520 -2.115285
H -0.193372 -0.381091 -2.221144
H -1.369458 0.943964 -2.290217
H 2.269526 0.362213 -1.071639
H 1.744946 1.768915 -0.159833
H -4.529415 -1.081936 0.712505
H -5.260169 0.541700 0.437625
H -2.918023 -0.168689 -2.497616
H -3.881761 -1.359533 -1.614522
H -4.596318 0.188413 -2.077159
H 1.364992 -3.142572 -1.290282
H 0.855232 -1.604345 -2.000996
H 2.461952 -1.750609 -1.248838
H 3.252599 -0.567476 1.175530
H 2.886552 0.996426 1.889081
H -3.092713 -2.388441 1.061411
H 1.992510 -2.927177 1.175270
H -3.603597 1.248099 2.058314
H 6.390101 0.430790 -0.229904
H 4.032951 3.107282 0.894754
H 5.585302 2.827025 0.032368
H 5.683034 -1.610855 -1.454150
H 3.943196 -1.283178 -1.076061


%chk=000188448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188448

0 1
O -2.922273 -2.482415 0.478164
O 1.962176 -2.131865 0.820216
O -3.876984 -0.381950 2.076249
C -0.562556 0.494843 -0.484194
C -1.834745 -0.252692 0.082773
C 0.741809 -0.181241 0.112213
C -3.225189 0.378338 -0.333440
C -1.764740 -1.789622 -0.118999
C 0.818847 -1.732232 -0.068249
C -0.587713 1.983966 0.056187
C -0.472580 -2.367074 0.494421
C -3.086205 1.938361 -0.412758
C -1.983551 2.475155 0.519653
C -0.526590 0.531897 -2.041476
C 2.056364 0.551103 -0.298625
C -4.342338 0.000523 0.722786
C -3.780678 -0.146180 -1.687815
C 1.134984 -2.270175 -1.481112
C 3.013893 0.805558 0.904289
C 4.380283 1.320925 0.469957
C 5.358847 0.371761 -0.104636
C 4.717611 2.642394 0.587860
C 5.193159 -0.977780 -0.224086
H -1.759319 -0.116243 1.184906
H 0.640017 -0.066163 1.214288
H -1.822604 -2.049944 -1.191880
H -0.227676 2.658999 -0.744336
H 0.125496 2.092020 0.895713
H -0.493378 -2.193604 1.589118
H -0.471545 -3.463814 0.333813
H -4.062234 2.408123 -0.178421
H -2.844705 2.243755 -1.449697
H -2.179180 2.152529 1.564016
H -1.995461 3.581999 0.537321
H 0.482194 0.807121 -2.398151
H -0.792515 -0.434010 -2.502025
H -1.226078 1.287079 -2.438701
H 2.599909 -0.026269 -1.066553
H 1.828217 1.529224 -0.761264
H -4.877093 -0.899151 0.386434
H -5.065436 0.836962 0.810194
H -3.120674 0.104515 -2.534010
H -3.923843 -1.240301 -1.660656
H -4.766170 0.318033 -1.891567
H 1.294405 -3.364847 -1.426273
H 0.313760 -2.099089 -2.195062
H 2.053509 -1.818192 -1.891359
H 3.118211 -0.139444 1.466065
H 2.542810 1.541820 1.585010
H -3.126396 -2.037218 1.350224
H 1.998341 -3.123359 0.838355
H -3.494463 0.401674 2.542886
H 6.303035 0.822824 -0.447975
H 4.028470 3.376403 1.021354
H 5.694783 3.018355 0.259389
H 5.984547 -1.604788 -0.650819
H 4.276430 -1.482299 0.106180


