%chk=000186815.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186815

0 1
O -1.793567 -0.824543 2.193094
O -1.673638 -1.834368 -0.687213
O -2.725395 2.418667 -0.701001
O -2.821681 -0.336116 -2.594167
O 1.463106 0.402691 1.864513
O 2.061611 1.489667 -0.361703
O 3.161615 -1.409818 0.949412
O 1.252094 3.448158 -1.152633
C -1.100811 0.818422 0.269982
C -2.106734 -0.125197 0.962938
C 0.124536 -0.052484 -0.181951
C -2.678525 -0.938997 -0.196429
C -1.933199 1.268683 -0.997758
C -2.880167 0.161260 2.214598
C -2.981200 0.146496 -1.265503
C -0.386300 -1.252728 -1.062135
C -0.730819 2.014931 1.123734
C 0.899140 -0.607314 1.049966
C 1.080867 0.731079 -1.117629
C 0.473991 -2.487216 -1.069747
C 2.016978 -1.565078 0.598505
C 1.563584 -2.664872 -0.313828
C 2.392645 -3.898815 -0.315512
C 2.066334 2.871140 -0.472480
C 3.178415 3.404668 0.353048
H -3.510764 -1.625475 0.046800
H -1.297318 1.471980 -1.883421
H -2.670277 1.047573 2.810555
H -3.868188 -0.265166 2.370433
H -4.015405 0.555540 -1.212361
H -0.540004 -0.887502 -2.112185
H -0.140696 2.751799 0.571227
H -1.626176 2.534490 1.491825
H -0.135131 1.707967 2.003364
H 0.195417 -1.133518 1.754772
H 0.528718 1.409783 -1.801798
H 1.726186 0.049630 -1.708246
H 0.101951 -3.273152 -1.733484
H -2.187565 3.236372 -0.791775
H -2.531079 -1.283006 -2.591019
H 2.295583 0.761386 1.448863
H 3.460491 -3.664824 -0.159876
H 2.311650 -4.469251 -1.249564
H 2.094436 -4.571151 0.505318
H 3.628490 4.294219 -0.118171
H 3.981033 2.665225 0.516555
H 2.817367 3.711966 1.349890


%chk=000186815-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186815

0 1
O -2.200390 -0.759063 2.278590
O -1.402238 -1.835669 -0.593414
O -3.435202 2.141983 -0.988321
O -2.789250 -0.759489 -2.705433
O 0.923761 1.036802 2.178175
O 2.100809 0.978624 -0.848871
O 2.907339 -0.675268 1.797300
O 2.894433 3.161606 -0.584451
C -1.596764 0.938083 0.305375
C -2.457255 -0.195758 0.910447
C -0.129319 0.342886 0.027969
C -2.671177 -1.160954 -0.238629
C -2.374497 1.134602 -1.081824
C -3.489499 -0.030658 1.977860
C -3.103490 -0.212112 -1.387762
C -0.258876 -0.900935 -0.926448
C -1.586868 2.227028 1.148604
C 0.601158 -0.105842 1.334173
C 0.712455 1.456904 -0.646775
C 0.907899 -1.860027 -0.954103
C 1.899454 -0.886354 1.049401
C 1.908689 -1.901921 -0.029859
C 3.068481 -2.867021 -0.079123
C 3.125253 1.944418 -0.733564
C 4.474778 1.270489 -0.803566
H -3.370179 -1.984860 -0.031061
H -1.688402 1.385430 -1.912864
H -3.599176 0.930134 2.490339
H -4.381982 -0.669429 1.963147
H -4.189542 -0.015204 -1.349661
H -0.447494 -0.515945 -1.951893
H -1.078950 3.061237 0.630877
H -2.621364 2.549136 1.354199
H -1.054123 2.065127 2.098316
H -0.064034 -0.798183 1.892034
H 0.756615 2.345569 0.000332
H 0.310788 1.737326 -1.636320
H 0.892589 -2.590396 -1.773463
H -3.032840 3.042783 -0.905523
H -2.295528 -1.612408 -2.562624
H 1.828068 0.845134 2.564272
H 4.023888 -2.319621 -0.176719
H 2.972273 -3.571004 -0.922425
H 3.138729 -3.444093 0.860794
H 5.269446 2.029634 -0.827738
H 4.538534 0.625685 -1.696471
H 4.604601 0.624795 0.084504


