%chk=000190649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190649

0 1
O 3.288658 -1.656025 -0.808798
O -0.909739 0.991192 1.447872
O 0.892185 -2.164588 -1.574758
O -1.542968 -1.925070 -1.399849
C 1.466199 0.994009 1.205111
C 2.578492 0.139276 0.649286
C 1.558872 2.422175 0.593346
C 0.036293 0.473607 0.881581
C 2.342610 -0.855344 -0.245188
C 4.728961 -1.301132 -0.638047
C 1.572026 1.060951 2.736982
C -0.133478 -0.592959 -0.105190
C 3.962604 0.380437 1.043831
C 0.974173 -1.223691 -0.670799
C 4.961114 -0.299335 0.461366
C 1.272466 2.436363 -0.875994
C 5.345968 -2.661144 -0.332578
C 5.139248 -0.736663 -1.995749
C -1.453948 -1.026140 -0.530584
C -2.695347 -0.424078 0.044545
C 2.190343 2.537580 -1.849722
C -3.973909 -1.026480 -0.544727
C 1.788920 2.555995 -3.294345
C 3.664235 2.630848 -1.609442
C -5.193406 -0.385940 0.059134
C -5.760104 -0.911055 1.230755
C -5.770323 0.742784 -0.542888
C -6.892972 -0.314222 1.790015
C -6.903321 1.335755 0.020481
C -7.467532 0.809107 1.186682
H 0.828788 3.079646 1.115444
H 2.558899 2.848802 0.812113
H 2.446450 1.629333 3.067004
H 0.682172 1.548009 3.167661
H 1.637316 0.059446 3.178022
H 4.141946 1.116569 1.828158
H 6.004221 -0.157725 0.736029
H 0.211630 2.363063 -1.120572
H 5.086895 -3.000882 0.678467
H 4.961826 -3.424508 -1.025925
H 6.436492 -2.646341 -0.419700
H 6.225339 -0.664630 -2.101288
H 4.760491 -1.370855 -2.809458
H 4.711844 0.271141 -2.152199
H -2.680975 -0.523147 1.158208
H -2.676151 0.685189 -0.088297
H -0.194535 -2.391223 -1.825482
H -3.981484 -2.125576 -0.382729
H -3.969735 -0.911693 -1.649611
H 2.012212 3.528891 -3.753124
H 2.328375 1.791232 -3.869002
H 0.716955 2.370235 -3.440988
H 3.903641 2.879086 -0.565829
H 4.136303 3.389546 -2.245146
H 4.152376 1.660664 -1.828320
H -5.316245 -1.783219 1.706161
H -5.334845 1.158725 -1.448865
H -7.328657 -0.725265 2.699011
H -7.347084 2.211175 -0.450367
H -8.349183 1.271997 1.623497


%chk=000190649-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190649

0 1
O 3.276205 -2.024750 -0.536235
O -0.900458 1.244027 1.236688
O 0.728252 -2.705993 -1.000473
O -1.645778 -2.407529 -0.840867
C 1.499511 0.915942 1.182210
C 2.584007 -0.020800 0.679989
C 1.705115 2.357258 0.558226
C 0.043287 0.475996 0.848259
C 2.294980 -1.149328 -0.068902
C 4.656475 -1.436024 -0.760728
C 1.570466 1.045429 2.738478
C -0.194779 -0.776043 0.125496
C 3.987672 0.210812 1.015294
C 0.923256 -1.566187 -0.326952
C 4.980060 -0.489363 0.387701
C 1.598580 2.405205 -0.950019
C 5.578036 -2.663205 -0.796456
C 4.633323 -0.684062 -2.111057
C -1.531867 -1.271439 -0.182477
C -2.805382 -0.557573 0.206780
C 2.535837 2.828553 -1.847511
C -4.088461 -1.308036 -0.228019
C 2.230826 2.845770 -3.337714
C 3.924244 3.327198 -1.484241
C -5.339978 -0.528007 0.147909
C -6.021270 -0.781341 1.366129
C -5.836424 0.495801 -0.700539
C -7.164460 -0.033232 1.729328
C -6.978404 1.246900 -0.343225
C -7.646989 0.985363 0.875542
H 0.908073 2.983744 1.005995
H 2.674997 2.751468 0.911201
H 2.510602 1.529102 3.057525
H 0.724685 1.666321 3.079359
H 1.505001 0.057121 3.227114
H 4.235084 0.932245 1.800932
H 6.034295 -0.362334 0.660152
H 0.625033 2.083002 -1.351331
H 5.555726 -3.196213 0.168722
H 5.247216 -3.357914 -1.586442
H 6.616984 -2.353653 -1.010114
H 5.631385 -0.260064 -2.327179
H 4.359988 -1.379703 -2.924039
H 3.902333 0.143222 -2.083929
H -2.795562 -0.375410 1.299249
H -2.779499 0.468408 -0.210356
H -0.402588 -2.809721 -1.063331
H -4.097520 -2.308739 0.240358
H -4.049821 -1.479996 -1.319119
H 2.333595 3.868426 -3.752347
H 2.942395 2.205913 -3.897966
H 1.208162 2.490865 -3.552514
H 4.162306 3.210763 -0.414784
H 4.033468 4.399070 -1.744025
H 4.695576 2.781951 -2.063711
H -5.656083 -1.574099 2.031339
H -5.327581 0.699504 -1.651534
H -7.679184 -0.246376 2.673357
H -7.348980 2.030637 -1.014054
H -8.534376 1.565016 1.154058


