%chk=000180914.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180914

0 1
O -0.430051 0.117687 0.797370
O 1.803148 1.718507 -0.970445
O 1.262868 -2.625280 0.623838
O -5.112063 -0.491298 -0.684018
O 4.686996 1.571379 -0.633329
O 5.710339 -1.026728 0.281309
O -5.855898 0.426572 1.683137
O -2.641627 -0.441904 -2.577124
C 1.593556 -0.472555 -0.195758
C 0.146229 -0.356613 -0.378719
C -2.674289 -0.132311 -0.206537
C -1.816460 0.214160 0.869770
C 2.452688 0.594856 -0.537573
C 2.177518 -1.660877 0.318444
C -0.589021 -0.620730 -1.471754
C -2.040152 -0.414880 -1.517241
C -4.057990 -0.098047 0.071187
C 3.850035 0.495675 -0.349916
C 4.395757 -0.725170 0.112496
C 3.558683 -1.805269 0.452248
C -2.248547 0.687207 2.108525
C -4.515019 0.421552 1.328848
C -3.623503 0.819297 2.320620
C 2.384748 2.455813 -2.084399
C 1.742746 -3.891207 1.151257
C -4.950693 -1.346677 -1.846757
C 4.675323 2.574313 0.427977
C 6.721499 -0.066727 -0.133932
C -6.711514 1.228393 0.825772
H -0.131948 -0.973855 -2.396498
H 4.017250 -2.722263 0.809860
H -1.526283 0.943670 2.879481
H -4.011709 1.203666 3.265581
H 3.459191 2.624293 -1.953024
H 1.814542 3.391745 -2.051547
H 2.177924 1.893624 -3.000654
H 2.372915 -4.393774 0.411835
H 0.798560 -4.433001 1.302746
H 2.263497 -3.732602 2.100052
H -5.959975 -1.761815 -1.948227
H -4.207675 -2.126329 -1.667767
H -4.668954 -0.723347 -2.708927
H 5.024800 2.135301 1.365196
H 3.666909 2.984680 0.542594
H 5.374163 3.324406 0.046069
H 6.761998 0.748989 0.592347
H 6.507298 0.313916 -1.139386
H 7.629762 -0.680461 -0.112334
H -6.364435 2.263202 0.805103
H -7.680349 1.138041 1.328744
H -6.745187 0.794576 -0.180937


%chk=000180914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180914

0 1
O -0.486981 -0.156792 1.017465
O 1.966043 1.868921 -0.895072
O 1.302782 -2.545321 0.884739
O -5.027873 -0.028116 -1.066219
O 4.787903 1.641204 -0.615974
O 5.843114 -0.909764 0.442365
O -6.056082 0.276221 1.506941
O -2.515463 0.137677 -2.618772
C 1.654701 -0.375024 -0.041469
C 0.188326 -0.236717 -0.202964
C -2.673581 -0.042522 -0.173598
C -1.892914 -0.055280 1.026486
C 2.532195 0.659639 -0.446600
C 2.223392 -1.557506 0.523430
C -0.495053 -0.166057 -1.389086
C -1.950272 -0.018439 -1.480297
C -4.103546 0.032602 -0.020359
C 3.944401 0.548449 -0.287849
C 4.484025 -0.659059 0.228497
C 3.619549 -1.704397 0.638010
C -2.456960 0.053777 2.312158
C -4.672199 0.212169 1.275725
C -3.845593 0.212239 2.425184
C 2.307619 2.265381 -2.282286
C 1.825331 -3.789127 1.457225
C -4.995603 -1.184148 -1.991301
C 4.703549 2.758668 0.359517
C 6.848784 -0.329089 -0.472437
C -6.820424 1.315224 0.780576
H 0.054416 -0.216359 -2.331455
H 4.082881 -2.612365 1.029620
H -1.801154 0.030468 3.185828
H -4.330556 0.312844 3.400507
H 3.401352 2.346774 -2.407461
H 1.823061 3.242146 -2.428822
H 1.890455 1.531710 -2.997249
H 2.477703 -4.318783 0.736310
H 0.935834 -4.398479 1.672236
H 2.383423 -3.594972 2.393049
H -6.002660 -1.211640 -2.436143
H -4.805349 -2.117146 -1.428607
H -4.223896 -1.016997 -2.758749
H 5.023535 2.417377 1.362011
H 3.671947 3.150642 0.403522
H 5.391996 3.531319 -0.016403
H 7.012140 0.739260 -0.263881
H 6.534128 -0.447012 -1.525000
H 7.762696 -0.912005 -0.278316
H -6.466188 2.321866 1.076176
H -7.863504 1.175884 1.103005
H -6.723830 1.182459 -0.308610


