%chk=000182716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182716

0 1
I 1.484369 4.290735 -0.278306
O -2.977038 1.157607 -0.039903
O 0.502019 0.030188 0.161658
C -0.848052 -0.002626 -0.368044
C -2.964563 -1.308278 -0.170243
C -1.589121 1.164143 0.352654
C -1.454044 -1.331414 0.122223
C -3.629237 -0.054023 0.450137
C -3.701623 -2.550764 0.353701
C -0.971613 2.513322 -0.020987
C -5.090363 0.067200 0.013146
C 1.251550 1.243070 -0.137592
C 0.489324 2.468060 0.407150
C -5.189822 -2.480201 -0.025914
C -5.856904 -1.184377 0.462930
C -0.849372 0.103670 -1.889502
C 2.586283 0.997844 0.575600
C 3.468438 0.024468 -0.216381
C 4.783027 -0.264067 0.519647
C 5.666166 -1.234972 -0.275361
C 6.982235 -1.527679 0.458914
C 7.865578 -2.493366 -0.328083
H -3.099620 -1.259605 -1.280717
H -1.537489 1.012462 1.457486
H -1.244266 -1.469870 1.199135
H -0.967066 -2.187731 -0.377918
H -3.536629 -0.055978 1.558383
H -3.590873 -2.633051 1.451107
H -3.248187 -3.467842 -0.065638
H -1.094963 2.707372 -1.106252
H -1.521439 3.337476 0.477623
H -5.149196 0.196268 -1.084679
H -5.540002 0.982588 0.441594
H 1.364147 1.305926 -1.244543
H 0.570226 2.513509 1.514167
H -5.723089 -3.353765 0.393892
H -5.295517 -2.558502 -1.125573
H -6.897064 -1.136434 0.088508
H -5.932196 -1.197978 1.567742
H -0.215577 0.922381 -2.251053
H -0.481128 -0.816341 -2.355885
H -1.866902 0.295320 -2.259301
H 2.385140 0.581740 1.584808
H 3.122338 1.955604 0.732079
H 2.909506 -0.919356 -0.383966
H 3.681305 0.437029 -1.221283
H 4.568952 -0.684990 1.521147
H 5.330301 0.681352 0.699729
H 5.881255 -0.816555 -1.277330
H 5.119519 -2.180508 -0.456214
H 7.530661 -0.582452 0.639383
H 6.768392 -1.949033 1.460671
H 8.801815 -2.696437 0.203555
H 8.128086 -2.089166 -1.312329
H 7.365922 -3.454874 -0.491970


%chk=000182716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182716

0 1
I 1.423318 4.507743 -0.043979
O -3.045728 1.197500 -0.068874
O 0.537572 0.101595 0.100350
C -0.854415 0.066724 -0.438104
C -2.983972 -1.305826 -0.230194
C -1.625472 1.197369 0.300876
C -1.454307 -1.279603 0.021621
C -3.673020 -0.066029 0.395731
C -3.666899 -2.586370 0.308574
C -1.008210 2.576637 0.024284
C -5.165613 -0.012495 0.052627
C 1.282348 1.371760 -0.139620
C 0.465796 2.535773 0.478173
C -5.183791 -2.578359 -0.004018
C -5.872407 -1.302272 0.542436
C -0.877682 0.202603 -1.973565
C 2.658866 1.146996 0.503204
C 3.484275 0.052632 -0.208403
C 4.836074 -0.222345 0.486145
C 5.675395 -1.306427 -0.227103
C 7.020078 -1.602349 0.475217
C 7.851699 -2.684891 -0.246523
H -3.166457 -1.262652 -1.324361
H -1.535671 0.972474 1.390595
H -1.245750 -1.401531 1.103799
H -0.959392 -2.117358 -0.504552
H -3.545574 -0.121368 1.505010
H -3.512133 -2.653124 1.406282
H -3.186747 -3.480903 -0.134598
H -1.086814 2.820717 -1.049579
H -1.561622 3.352528 0.580581
H -5.275630 0.090431 -1.044945
H -5.619694 0.884467 0.512678
H 1.396077 1.540026 -1.230742
H 0.545707 2.513267 1.579626
H -5.665430 -3.479757 0.421464
H -5.326107 -2.627219 -1.103174
H -6.936490 -1.282990 0.239546
H -5.858203 -1.327834 1.651680
H -0.317756 1.082479 -2.332319
H -0.433966 -0.695616 -2.437684
H -1.916132 0.313651 -2.329326
H 2.500891 0.866296 1.564126
H 3.216982 2.102715 0.493499
H 2.886659 -0.878124 -0.247892
H 3.668517 0.359172 -1.259783
H 4.651208 -0.535560 1.535197
H 5.423598 0.718450 0.541497
H 5.871516 -0.989959 -1.273143
H 5.083766 -2.243736 -0.292518
H 7.609800 -0.665239 0.543021
H 6.822776 -1.920842 1.519352
H 8.808902 -2.876181 0.272877
H 8.085175 -2.378449 -1.283849
H 7.297685 -3.641493 -0.297417


