%chk=000186528.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186528

0 1
O -0.885222 -0.417174 -1.316811
O -1.860414 1.919886 -0.500961
O -1.414727 -1.302352 -3.328206
O -3.849962 1.052301 -1.142661
C -0.315355 0.752660 -1.973776
C 0.981545 1.066720 -1.273102
C -1.368482 1.882783 -1.880031
C 1.413018 2.428513 -1.243141
C 3.012401 0.380157 -0.115523
C 1.762305 0.073998 -0.716369
C 3.451038 1.725488 -0.104420
C -0.749729 3.236672 -2.086345
C 2.636436 2.739572 -0.672648
C 0.535649 3.474368 -1.789366
C 3.851010 -0.650777 0.481725
C 5.092281 -0.286961 1.056171
C 4.727443 2.059094 0.491239
C 5.510204 1.098778 1.044282
C 3.461318 -2.017237 0.506436
C 5.917606 -1.285431 1.639753
C -1.464324 -1.388402 -2.123131
C 4.275950 -2.974552 1.078059
C -3.117583 1.409091 -0.246752
C 5.516248 -2.606432 1.650264
C -2.062133 -2.448955 -1.282854
C -3.377836 1.406618 1.212223
C -2.537053 -3.608386 -1.918280
C -2.172344 -2.305337 0.108662
C -4.676800 1.106888 1.654460
C -2.359519 1.685757 2.135774
C -3.113559 -4.625799 -1.155617
C -2.751458 -3.327856 0.863799
C -4.952885 1.089977 3.022900
C -2.644067 1.665895 3.503451
C -3.220230 -4.485460 0.232971
C -3.937932 1.369685 3.945521
H -0.119969 0.508064 -3.052852
H -2.226605 1.679746 -2.566104
H 1.410203 -0.961612 -0.729402
H -1.423067 4.009511 -2.451679
H 2.985569 3.771525 -0.645962
H 0.981317 4.461262 -1.928198
H 5.037009 3.103780 0.480016
H 6.472526 1.343544 1.493577
H 2.504744 -2.304205 0.065917
H 6.871104 -0.994386 2.078148
H 3.972397 -4.020260 1.093406
H 6.146326 -3.374377 2.096005
H -2.454948 -3.702058 -3.004521
H -1.806068 -1.393873 0.590445
H -5.459280 0.887832 0.922779
H -1.351886 1.916917 1.775951
H -3.483651 -5.526677 -1.643171
H -2.840594 -3.220348 1.943955
H -5.958690 0.859954 3.371261
H -1.856907 1.882705 4.224248
H -3.673053 -5.281000 0.825106
H -4.157216 1.356865 5.013278


%chk=000186528-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186528

0 1
O -0.882006 -0.513147 -1.241794
O -1.858586 1.994683 -0.329330
O -1.708455 -1.102183 -3.346332
O -3.786882 0.799487 -0.910522
C -0.322279 0.722007 -1.832014
C 1.014162 1.035152 -1.187031
C -1.352581 1.868337 -1.743496
C 1.495741 2.385262 -1.314457
C 3.113600 0.355769 -0.082014
C 1.805055 0.060309 -0.579009
C 3.613142 1.700627 -0.241798
C -0.719488 3.193419 -2.092996
C 2.788040 2.687466 -0.856833
C 0.612669 3.412238 -1.884009
C 3.960522 -0.647796 0.564874
C 5.278404 -0.268826 1.019028
C 4.939158 2.036607 0.226628
C 5.740250 1.088574 0.832294
C 3.542603 -1.999698 0.771475
C 6.116337 -1.238867 1.651190
C -1.600236 -1.349212 -2.121319
C 4.380034 -2.934874 1.394449
C -3.087132 1.378085 -0.043006
C 5.679496 -2.555082 1.839224
C -2.165012 -2.533506 -1.419993
C -3.449708 1.516766 1.397521
C -2.853383 -3.499743 -2.198875
C -2.036096 -2.712733 -0.017833
C -4.683696 0.963634 1.829131
C -2.601597 2.173054 2.327307
C -3.404616 -4.640010 -1.581008
C -2.591084 -3.855268 0.595704
C -5.068343 1.069333 3.181249
C -2.991644 2.275845 3.679315
C -3.273488 -4.820441 -0.182912
C -4.223494 1.726193 4.108358
H -0.173421 0.539091 -2.919024
H -2.219806 1.624293 -2.382167
H 1.394669 -0.948567 -0.493303
H -1.376908 3.989527 -2.456437
H 3.172942 3.710170 -0.957909
H 1.046763 4.397111 -2.097350
H 5.296092 3.064292 0.090729
H 6.744649 1.349969 1.185636
H 2.550600 -2.321717 0.440831
H 7.113736 -0.933117 1.989212
H 4.033941 -3.963986 1.539926
H 6.329211 -3.291259 2.324717
H -2.946072 -3.335335 -3.277412
H -1.514389 -1.955775 0.574480
H -5.318338 0.459709 1.092654
H -1.652253 2.590458 1.980841
H -3.936025 -5.384819 -2.182995
H -2.496261 -3.992468 1.678258
H -6.021323 0.643519 3.513347
H -2.338074 2.782041 4.397963
H -3.703785 -5.706482 0.297456
H -4.523256 1.808582 5.159278


