%chk=000217609.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217609

0 1
O -3.846739 1.968827 1.013138
O -1.571674 -2.100618 1.039207
O 0.935033 -2.140911 0.624644
C -2.695641 -0.051770 1.004596
C -3.987545 -0.774074 1.267910
C -1.482500 -0.770989 0.872996
C -2.637154 1.340448 0.856057
C -0.244773 -0.118064 0.595891
C -4.535999 -1.364451 0.000832
C -1.423460 2.019959 0.582776
C -0.260225 1.285782 0.454989
C -5.582329 -0.887914 -0.689535
C 0.975481 -0.912001 0.470317
C -6.060646 -1.566027 -1.939518
C -6.359685 0.327460 -0.287244
C 2.263437 -0.251644 0.158355
C 3.400056 -0.960908 0.079206
C 4.716524 -0.379138 -0.223215
C -3.888055 3.415488 0.919953
C 4.861146 0.635873 -1.183198
C 5.850906 -0.860052 0.454852
C 6.125025 1.165629 -1.457072
C 7.109351 -0.319857 0.183142
C 7.248839 0.692140 -0.773252
H -3.809404 -1.592334 2.002825
H -4.713740 -0.086925 1.751676
H -3.987401 -2.243674 -0.339158
H -1.403815 3.097393 0.470253
H 0.680435 1.803690 0.240411
H -5.538377 -2.511181 -2.134559
H -7.132889 -1.793585 -1.882088
H -5.904869 -0.923885 -2.816626
H -7.102496 0.078069 0.481769
H -5.697265 1.102593 0.133592
H -6.895226 0.780501 -1.128470
H 2.239016 0.828101 0.006650
H -0.641726 -2.583477 0.940958
H 3.388288 -2.048267 0.254047
H -3.596812 3.738354 -0.083708
H -3.261702 3.865785 1.695295
H -4.950904 3.619057 1.106448
H 3.989172 1.002462 -1.723211
H 5.747500 -1.650031 1.198164
H 6.233508 1.949278 -2.205602
H 7.984898 -0.689646 0.715304
H 8.232237 1.108434 -0.985894


%chk=000217609-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217609

0 1
O -3.935414 2.101025 0.821474
O -1.454389 -1.962393 1.119399
O 0.996421 -1.984980 0.750342
C -2.688985 0.079700 0.968921
C -3.968185 -0.686740 1.274871
C -1.449167 -0.607274 0.888353
C -2.687378 1.475204 0.726551
C -0.210470 0.081314 0.576132
C -4.555023 -1.327009 0.021968
C -1.486833 2.183203 0.414086
C -0.277633 1.485584 0.342507
C -5.747895 -1.045758 -0.576367
C 1.034134 -0.696593 0.516702
C -6.187932 -1.807311 -1.818264
C -6.733433 0.004826 -0.092268
C 2.327491 -0.063882 0.199056
C 3.476932 -0.810646 0.149637
C 4.835075 -0.346606 -0.152390
C -4.012038 3.545623 0.579354
C 5.152638 1.010890 -0.457122
C 5.895016 -1.300324 -0.143467
C 6.477047 1.393600 -0.740513
C 7.221910 -0.917433 -0.427127
C 7.518704 0.432247 -0.727212
H -3.716929 -1.492670 1.989785
H -4.695054 -0.013114 1.754323
H -3.917913 -2.104959 -0.423452
H -1.500526 3.260430 0.230452
H 0.631001 2.044579 0.101218
H -5.455144 -2.581498 -2.104643
H -7.166348 -2.302938 -1.655950
H -6.320195 -1.121531 -2.679599
H -7.650762 -0.470716 0.310272
H -6.308625 0.658877 0.685383
H -7.054743 0.647210 -0.936332
H 2.346674 1.011872 0.003139
H -0.453818 -2.277270 1.023742
H 3.357998 -1.883282 0.361985
H -3.685125 3.797637 -0.447140
H -3.407759 4.109095 1.315622
H -5.075494 3.797506 0.701852
H 4.360508 1.767469 -0.473459
H 5.665179 -2.347296 0.088872
H 6.704608 2.439806 -0.973101
H 8.021458 -1.665945 -0.415062
H 8.548216 0.734372 -0.948628


