%chk=000183137.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183137

0 1
O 3.731076 -0.625907 -1.636547
O 2.605965 0.106855 0.219331
O 5.834571 -0.383697 1.937126
O 5.402255 -2.992888 0.702206
O 5.780496 1.530094 -0.720851
O -2.064748 -0.053041 0.456368
O 3.179266 -3.414139 -2.707485
O 0.041524 4.233325 0.457224
O -2.524559 4.036166 0.524365
O -5.755250 0.303416 2.096063
O -4.838007 -2.959467 -2.234903
C 5.623564 -0.575327 0.534361
C 4.720200 -1.809232 0.306307
C 4.923209 0.719101 0.071968
C 4.264058 -1.891221 -1.160916
C 3.629949 0.459349 -0.742595
C 3.160633 -2.940908 -1.361880
C 1.429844 0.843657 0.248413
C 0.259053 0.067242 0.301109
C -0.970347 0.755574 0.398048
C -3.361897 0.567230 0.798858
C -1.054407 2.164342 0.406347
C 1.423152 2.249725 0.323780
C -3.534488 1.918804 0.127143
C 0.161567 2.883048 0.397539
C -2.357675 2.847554 0.389362
C -4.379769 -0.441431 0.332606
C 0.296404 -1.421708 0.288491
C 2.663758 3.073925 0.402029
C -5.609049 -0.555297 1.026978
C -4.155203 -1.267663 -0.762749
C -5.154423 -2.186836 -1.140298
C -6.598210 -1.466636 0.646699
C -6.369420 -2.297925 -0.454826
H 6.621102 -0.689033 0.054008
H 3.844076 -1.779045 1.010468
H 4.704996 1.371066 0.965431
H 5.111222 -2.082319 -1.861134
H 3.330507 1.299317 -1.407194
H 2.158386 -2.518259 -1.111768
H 3.352176 -3.854841 -0.763072
H 5.994936 -1.253976 2.377430
H 6.146542 -3.205669 0.097488
H -3.349739 0.652448 1.914053
H 6.068427 1.058452 -1.534852
H -4.478086 2.395761 0.474991
H -3.657587 1.814062 -0.972600
H -0.664129 -1.851545 -0.033875
H 1.081714 -1.796126 -0.395478
H 0.512388 -1.817129 1.291684
H 2.885916 -2.700830 -3.318239
H 2.461741 4.085730 0.794429
H 3.403721 2.623748 1.087310
H 3.143972 3.202963 -0.579037
H -3.215771 -1.222615 -1.319813
H 0.938375 4.690540 0.476241
H -7.534172 -1.534719 1.195460
H -7.125789 -3.013747 -0.764877
H -6.611850 0.161508 2.568529
H -5.561762 -3.592627 -2.461552


%chk=000183137-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183137

0 1
O 3.570939 -0.468209 -1.550539
O 2.764004 0.326567 0.611827
O 5.762403 -0.636997 2.015187
O 5.308306 -3.216882 0.470242
O 5.986307 1.081768 -1.085477
O -2.009633 -0.073126 0.273149
O 2.880381 -2.678402 -3.141309
O 0.015104 4.374340 0.523394
O -2.622714 4.061801 -0.037452
O -5.877205 0.787403 1.661075
O -4.820002 -3.658425 -1.627525
C 5.621281 -0.760674 0.566626
C 4.672205 -1.915473 0.193234
C 5.133533 0.607474 0.015985
C 4.230138 -1.800116 -1.278602
C 3.685214 0.555038 -0.508647
C 3.228652 -2.867951 -1.732928
C 1.487475 0.962623 0.514400
C 0.343123 0.137316 0.429906
C -0.913189 0.792782 0.350989
C -3.336744 0.531449 0.571351
C -1.055658 2.218476 0.318004
C 1.419549 2.380633 0.601809
C -3.505266 1.812087 -0.261743
C 0.140851 2.985879 0.478994
C -2.385957 2.822433 0.029644
C -4.392504 -0.516969 0.286799
C 0.409525 -1.373493 0.455483
C 2.638547 3.235575 0.903998
C -5.687853 -0.354687 0.848527
C -4.141035 -1.631638 -0.536258
C -5.162780 -2.572806 -0.796901
C -6.708066 -1.292195 0.590680
C -6.449200 -2.408994 -0.236049
H 6.612465 -0.954783 0.092561
H 3.797647 -1.897360 0.862876
H 5.239969 1.353427 0.816828
H 5.118170 -1.841837 -1.948691
H 3.417904 1.487136 -1.035843
H 2.331408 -2.837399 -1.084058
H 3.685552 -3.867937 -1.665370
H 5.922135 -1.542478 2.388809
H 6.129441 -3.301927 -0.082912
H -3.348655 0.796742 1.648516
H 5.679890 0.650689 -1.927064
H -4.473727 2.287704 -0.037979
H -3.488517 1.554512 -1.339600
H 0.224753 -1.803690 -0.547484
H 1.394403 -1.713321 0.808895
H -0.373428 -1.779605 1.118139
H 2.531591 -1.754249 -3.237852
H 2.418199 3.981603 1.693900
H 3.455511 2.612311 1.298026
H 3.028669 3.782027 0.021538
H -3.147156 -1.783019 -0.962654
H 0.908824 4.801899 0.566866
H -7.705343 -1.160416 1.028813
H -7.245570 -3.137224 -0.433982
H -6.787919 0.804503 2.044448
H -5.591542 -4.264716 -1.750897


