%chk=000231670.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231670

0 1
O 3.093952 -0.295286 -1.158394
O 3.643110 -1.773938 0.541814
O 4.508344 1.897212 1.102121
O -6.407917 -1.288799 -1.289363
C 1.444626 0.936719 0.196631
C 0.739903 -0.354155 0.728645
C -0.717296 -0.064022 1.105203
C 2.921557 0.440551 0.063637
C -1.455478 0.364559 -0.197731
C 3.106214 -0.615787 1.205032
C 1.707798 -0.913224 1.782564
C 0.756095 1.327429 -1.117739
C -0.747245 1.553259 -0.884781
C -2.965176 0.664676 0.086255
C -1.388786 -1.297757 1.728515
C 1.419102 2.099474 1.197473
C 3.493682 -1.675282 -0.891424
C -2.871941 -1.034556 2.013297
C 3.979181 1.561331 0.067051
C -3.574323 -0.558830 0.772524
C -3.170253 1.884067 1.005455
C -3.658759 0.982128 -1.227708
C 2.381068 -2.588034 -1.369267
C 4.853492 -1.908341 -1.518139
C 4.281705 2.180025 -1.257220
C -4.670184 -1.180801 0.311841
C -4.745481 0.350060 -1.675025
C -5.379894 -0.761470 -0.915098
H 0.726762 -1.104517 -0.118468
H -0.755838 0.776363 1.840532
H -1.430061 -0.502455 -0.906097
H 3.864339 -0.349307 1.966822
H 1.575051 -0.435091 2.766609
H 1.577292 -1.998625 1.936099
H 0.924907 0.533111 -1.874139
H 1.210524 2.239025 -1.545649
H -0.887528 2.471700 -0.281285
H -1.230328 1.755596 -1.861332
H -0.872214 -1.576546 2.666808
H -1.287217 -2.173362 1.057470
H 2.048189 1.906535 2.076769
H 1.774650 3.032743 0.747467
H 0.402980 2.285607 1.567434
H -2.984451 -0.276571 2.817243
H -3.344172 -1.954860 2.414953
H -2.633912 1.769343 1.954440
H -2.810519 2.808091 0.538535
H -4.233061 2.027475 1.238763
H -3.208861 1.801648 -1.794160
H 2.320306 -2.618001 -2.462502
H 2.527802 -3.611302 -1.002051
H 1.403519 -2.235889 -0.991106
H 4.851318 -1.648074 -2.583023
H 5.622455 -1.296055 -1.026255
H 5.165200 -2.955509 -1.417830
H 4.327940 1.415398 -2.053071
H 3.499663 2.893142 -1.552059
H 5.236263 2.724251 -1.242999
H -5.108593 -2.046002 0.811033
H -5.237602 0.604532 -2.614318


%chk=000231670-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231670

0 1
O 2.854709 -0.507704 -1.293560
O 3.168578 -2.093303 0.397295
O 4.649381 1.583547 0.985586
O -6.396201 -1.505393 -1.383196
C 1.424146 0.922868 0.183593
C 0.664903 -0.298879 0.799581
C -0.795422 0.014461 1.185960
C 2.858347 0.280214 -0.038045
C -1.547036 0.470858 -0.110611
C 2.999891 -0.798482 1.110890
C 1.648141 -0.844644 1.858541
C 0.681993 1.352256 -1.103510
C -0.814508 1.651901 -0.808039
C -3.099009 0.748307 0.153612
C -1.484560 -1.205973 1.836278
C 1.544859 2.117468 1.170029
C 3.527951 -1.808891 -1.003117
C -2.983851 -0.926271 2.122951
C 4.002734 1.317945 -0.064838
C -3.682359 -0.482328 0.854689
C -3.312525 2.010816 1.061884
C -3.800312 1.042256 -1.160930
C 2.893955 -2.871115 -1.894908
C 5.053451 -1.685665 -1.164061
C 4.278925 2.022112 -1.380712
C -4.739280 -1.186806 0.341841
C -4.853709 0.331603 -1.653502
C -5.406082 -0.839063 -0.929635
H 0.621710 -1.066754 -0.004752
H -0.808434 0.843325 1.925190
H -1.517257 -0.394403 -0.810136
H 3.874231 -0.607389 1.754853
H 1.675414 -0.210035 2.763698
H 1.432789 -1.880303 2.169583
H 0.762086 0.538788 -1.848022
H 1.143642 2.253815 -1.553178
H -0.893566 2.564011 -0.185561
H -1.308489 1.882950 -1.769617
H -0.972003 -1.471020 2.780196
H -1.398246 -2.082232 1.161700
H 2.157560 1.879458 2.055861
H 2.017687 2.985899 0.674826
H 0.553114 2.445137 1.523075
H -3.052680 -0.137744 2.900426
H -3.473280 -1.827868 2.532772
H -2.751797 1.937593 2.009340
H -2.986165 2.928671 0.542181
H -4.383803 2.123043 1.303722
H -3.439572 1.921725 -1.710847
H 3.097825 -2.652911 -2.956881
H 3.308308 -3.863683 -1.650512
H 1.804291 -2.890582 -1.733228
H 5.310435 -1.404290 -2.200315
H 5.469804 -0.930186 -0.475245
H 5.528991 -2.654209 -0.932212
H 4.270059 1.304439 -2.217307
H 3.470631 2.753111 -1.582226
H 5.236622 2.562710 -1.326761
H -5.132950 -2.067917 0.864222
H -5.342172 0.598361 -2.598110


