%chk=000180421.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180421

0 1
O 1.359074 -1.345961 -0.239580
O -2.618070 1.626673 -1.592318
O -5.369327 -1.029426 1.098807
O -5.028627 0.982361 -0.719536
O 3.723400 -2.294288 -0.789004
O 0.944587 1.318557 0.239478
O 5.606392 3.454100 -0.595638
C 0.673593 -1.489019 1.065657
C -0.570992 -2.290399 0.661802
C -1.751688 -1.411136 0.351524
C 1.597655 -2.235805 2.013880
C -3.004704 -1.694832 0.914330
C -1.583687 -0.319594 -0.505815
C 2.394734 -0.445785 -0.279447
C -2.674867 0.506465 -0.804102
C -4.097428 -0.875466 0.598216
C -3.957406 0.231661 -0.271905
C 3.677350 -0.930669 -0.651260
C 2.227792 0.945138 -0.086385
C 4.753330 -0.051961 -0.832464
C 3.308799 1.825722 -0.245330
C 4.553179 1.318665 -0.620835
C -1.387030 1.852053 -2.329098
C -5.624204 -2.170823 1.954459
C 5.701401 2.263607 -0.802383
C -5.678847 1.759612 0.322837
C 4.964697 -2.877858 -1.259385
C 0.737419 2.680350 0.697784
H 0.424002 -0.469969 1.436840
H -0.815119 -3.037838 1.440728
H -0.323485 -2.888860 -0.250616
H 1.093793 -2.511430 2.945480
H 2.474079 -1.629695 2.274890
H 1.983039 -3.153496 1.547129
H -3.120813 -2.541537 1.578532
H -0.591243 -0.115049 -0.916237
H 5.730039 -0.424292 -1.123605
H 3.197914 2.900124 -0.093321
H -1.591698 2.814744 -2.811840
H -1.250288 1.058935 -3.070644
H -0.530584 1.913161 -1.647991
H -5.430256 -3.101886 1.413951
H -6.695617 -2.055095 2.162953
H -5.032266 -2.098569 2.870699
H 6.648536 1.810534 -1.138566
H -6.106782 1.086923 1.074174
H -4.971455 2.463081 0.765227
H -6.460956 2.278948 -0.240414
H 5.216003 -2.495793 -2.252761
H 5.765940 -2.706525 -0.535795
H 4.697898 -3.942753 -1.307188
H -0.339666 2.671321 0.920301
H 0.969237 3.392202 -0.099325
H 1.326026 2.873168 1.598811


%chk=000180421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180421

0 1
O 1.316204 -1.100824 -0.099870
O -2.791187 1.432592 -1.845218
O -5.551054 -1.239809 0.998966
O -5.245329 0.725776 -0.949296
O 3.519115 -2.247409 -1.092898
O 1.277738 1.569538 0.704159
O 6.135468 3.279502 -0.496715
C 0.660902 -1.311773 1.253327
C -0.597865 -2.146695 0.947295
C -1.818746 -1.361338 0.477773
C 1.648394 -2.038004 2.175914
C -3.095023 -1.675556 0.999759
C -1.693673 -0.336587 -0.487756
C 2.457680 -0.310793 -0.185842
C -2.835171 0.381170 -0.918502
C -4.241940 -0.976485 0.550391
C -4.128794 0.065030 -0.412352
C 3.626751 -0.891395 -0.770848
C 2.481804 1.073355 0.183023
C 4.784044 -0.107158 -0.976257
C 3.640970 1.848623 -0.007057
C 4.788352 1.255753 -0.588235
C -1.484680 1.746987 -2.428153
C -5.737722 -2.376829 1.900166
C 6.010621 2.061012 -0.803153
C -6.023459 1.552162 -0.005394
C 4.674249 -2.875087 -1.741404
C 1.234998 2.991814 1.068265
H 0.395488 -0.316980 1.652883
H -0.861596 -2.713336 1.860549
H -0.302053 -2.895205 0.184473
H 1.205931 -2.160613 3.181613
H 2.585852 -1.464197 2.287576
H 1.897112 -3.035622 1.772831
H -3.186649 -2.468256 1.749179
H -0.700890 -0.104782 -0.879011
H 5.687414 -0.537442 -1.421180
H 3.695107 2.906912 0.264640
H -1.675224 2.584040 -3.116195
H -1.076084 0.885076 -2.990336
H -0.755837 2.052803 -1.651536
H -5.385356 -3.318556 1.436472
H -6.823040 -2.431497 2.072276
H -5.215733 -2.221692 2.865074
H 6.859648 1.503429 -1.275957
H -6.456371 0.929598 0.797265
H -5.387158 2.348252 0.428092
H -6.823166 2.004186 -0.612183
H 4.908883 -2.385150 -2.706198
H 5.566834 -2.855645 -1.085883
H 4.367985 -3.916026 -1.919046
H 0.209693 3.161473 1.427166
H 1.439285 3.634159 0.190844
H 1.960084 3.219800 1.872209


