%chk=000187458.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187458

0 1
O 2.310798 -0.661134 0.020651
O 4.066907 2.966855 0.375837
O 0.491854 0.465757 -0.530174
O 5.711514 0.499514 0.832401
O 2.463610 2.218019 -2.128006
O 4.657025 -2.881373 0.577107
O 3.563441 -1.967725 2.315306
O -0.214082 -1.066161 -2.046365
C 3.949871 1.713029 -0.311035
C 4.302132 0.565450 0.659748
C 2.480996 1.707875 -0.786880
C 3.734635 -0.772018 0.137483
C 1.852045 0.307984 -0.955232
C 3.918745 -1.884473 1.172214
C -0.487078 -0.356793 -1.111727
C -1.778396 -0.139815 -0.428290
C -2.933564 -0.580518 -1.043160
C -4.197066 -0.393722 -0.407577
C -4.248988 0.243761 0.861420
C -1.827559 0.497915 0.848857
C -3.033329 0.683505 1.475024
C -5.414105 -0.836521 -1.020294
C -5.519744 0.428151 1.495575
C -6.616644 -0.646405 -0.389324
C -6.668954 -0.005610 0.884920
H 4.639516 1.729703 -1.188324
H 3.932416 0.786163 1.696148
H 1.856440 2.348829 -0.114917
H 4.172506 -1.072808 -0.844704
H 1.929626 -0.120406 -1.977381
H 4.941778 3.025699 0.828835
H 6.170767 0.221535 0.009252
H 2.491136 3.202720 -2.111981
H 4.825704 -3.653835 1.183822
H -2.890886 -1.076748 -2.017476
H -0.888590 0.824158 1.305476
H -3.084188 1.166372 2.450819
H -5.361716 -1.325509 -1.993002
H -5.551866 0.917162 2.468446
H -7.547883 -0.979310 -0.845824
H -7.640225 0.130425 1.360733


%chk=000187458-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187458

0 1
O 2.335472 -0.582264 0.387947
O 4.691060 2.810958 -0.276033
O 0.410057 0.612819 -0.097517
O 5.983531 0.251891 -0.161671
O 2.004504 2.740535 -1.262300
O 5.549247 -2.191649 0.959788
O 3.404076 -2.807564 1.618056
O -0.257641 -0.890622 -1.769588
C 4.026204 1.536939 -0.555407
C 4.605869 0.401657 0.301272
C 2.528677 1.775591 -0.302502
C 3.734276 -0.875524 0.075095
C 1.779670 0.453666 -0.510903
C 4.133549 -2.050317 0.966925
C -0.559612 -0.154787 -0.804278
C -1.920373 0.056296 -0.250817
C -2.987490 -0.626673 -0.853583
C -4.322756 -0.469323 -0.372488
C -4.565232 0.411367 0.754772
C -2.159641 0.928276 0.865900
C -3.453608 1.096707 1.351375
C -5.430384 -1.157332 -0.973140
C -5.905987 0.567984 1.235466
C -6.725851 -0.984194 -0.482610
C -6.964665 -0.114576 0.630384
H 4.172989 1.259163 -1.623322
H 4.566182 0.677483 1.376210
H 2.383599 2.120617 0.742115
H 3.858724 -1.192377 -0.986941
H 1.827506 0.108247 -1.564283
H 5.664574 2.678165 -0.410568
H 6.366245 -0.559494 0.269821
H 2.595787 3.537004 -1.226560
H 5.807452 -2.973838 1.518107
H -2.781456 -1.287214 -1.703690
H -1.312359 1.448931 1.317897
H -3.638590 1.761640 2.203000
H -5.242065 -1.821901 -1.824523
H -6.090432 1.233213 2.087277
H -7.566335 -1.512030 -0.945829
H -7.986172 0.012226 1.005547


