%chk=000226022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226022

0 1
I -6.420124 0.313986 1.979825
O -2.980878 0.163320 1.758381
O 0.391206 2.005717 -1.602982
O -4.785280 0.086182 -1.309849
O 6.172477 0.496995 1.629814
C -1.785536 0.092067 -0.300382
C -0.893553 -1.090303 0.190893
C 0.492077 -1.050983 -0.465373
C 1.185696 0.264994 -0.014427
C -3.138755 -0.290361 0.410941
C -1.149066 1.401015 0.179019
C 0.325719 1.536746 -0.251101
C -1.781460 -2.333159 0.006519
C 2.629229 0.366241 -0.606358
C -3.207921 -1.837603 0.340394
C 1.322293 -2.275280 -0.036346
C -2.001978 0.110335 -1.816605
C 2.768500 -2.192047 -0.538149
C 3.388026 -0.880359 -0.145363
C -4.400540 0.362050 -0.198168
C 2.672960 0.413077 -2.144191
C 3.280474 1.647708 -0.114868
C 4.521514 -0.821007 0.568484
C -5.113319 1.372235 0.656883
C 4.407524 1.688681 0.598434
C 5.138200 0.454756 0.994058
H -0.749090 -0.958768 1.299039
H 0.394139 -1.055885 -1.576181
H 1.313955 0.201687 1.101151
H -1.225298 1.467008 1.286052
H -1.709790 2.274800 -0.205995
H 0.786809 2.399817 0.293423
H -1.474408 -3.156851 0.670132
H -1.727896 -2.723278 -1.023889
H -3.928959 -2.167321 -0.430961
H -3.563393 -2.253783 1.297614
H 0.850236 -3.200569 -0.418016
H 1.321040 -2.368720 1.068178
H -2.622905 0.959579 -2.131934
H -1.048879 0.180577 -2.361797
H -2.517072 -0.791983 -2.173809
H 2.804619 -2.303791 -1.642576
H 3.351531 -3.048207 -0.140730
H 2.224753 1.346768 -2.520387
H 3.705887 0.377075 -2.510779
H 2.125852 -0.418866 -2.597148
H 2.763330 2.562696 -0.421539
H -3.612370 -0.289561 2.366732
H -0.051165 1.368617 -2.215991
H 5.062640 -1.711533 0.890035
H -5.725327 2.062559 0.049834
H -4.417054 1.971792 1.273179
H 4.867928 2.620935 0.927780


%chk=000226022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226022

0 1
I -6.300687 0.866542 2.344103
O -2.906292 -0.102386 1.867127
O 0.334881 2.096718 -1.672965
O -5.029982 0.047649 -1.085737
O 6.067731 0.687919 1.916217
C -1.832258 0.036149 -0.321493
C -0.920427 -1.165477 0.089280
C 0.494723 -1.096202 -0.523183
C 1.162999 0.252334 -0.095727
C -3.162201 -0.390453 0.442493
C -1.181442 1.344913 0.183142
C 0.282686 1.528119 -0.306061
C -1.801695 -2.408854 -0.179323
C 2.660048 0.373958 -0.641661
C -3.249612 -1.931741 0.177101
C 1.348300 -2.294154 -0.032971
C -2.115549 0.072353 -1.850640
C 2.838526 -2.192707 -0.455758
C 3.411297 -0.839559 -0.085896
C -4.414241 0.373438 -0.034927
C 2.755600 0.356616 -2.209495
C 3.267488 1.689664 -0.191640
C 4.500936 -0.713095 0.732986
C -4.868265 1.572218 0.787025
C 4.359905 1.794571 0.617087
C 5.051603 0.594887 1.148604
H -0.795751 -1.083515 1.189903
H 0.425430 -1.153179 -1.629633
H 1.269681 0.189990 1.011642
H -1.185399 1.330197 1.288390
H -1.747516 2.239495 -0.142670
H 0.727674 2.341559 0.292172
H -1.494001 -3.277616 0.427242
H -1.739240 -2.710537 -1.242256
H -3.964326 -2.131754 -0.639033
H -3.634643 -2.436236 1.082414
H 0.921425 -3.240967 -0.414748
H 1.293210 -2.335501 1.074507
H -2.542214 1.045076 -2.154231
H -1.193364 -0.102460 -2.435944
H -2.836564 -0.700019 -2.164423
H 2.910599 -2.347294 -1.551659
H 3.423380 -2.999277 0.021976
H 2.324154 1.281486 -2.621773
H 3.815981 0.288266 -2.511510
H 2.222269 -0.504481 -2.648205
H 2.797479 2.591391 -0.605989
H -3.643756 -0.480391 2.413658
H -0.158752 1.507321 -2.295185
H 5.016773 -1.597866 1.127276
H -5.454331 2.271998 0.175877
H -4.056787 2.043968 1.356510
H 4.781115 2.766724 0.898906


