%chk=000245686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245686

0 1
O -6.592286 1.929318 -1.739771
O -8.025610 0.244613 -2.600607
O 7.214102 1.510232 -0.472088
O 5.998735 2.034092 1.764705
O 6.071454 -0.121906 -2.374352
O -0.834510 -0.616143 2.129176
O -0.097502 -2.631195 1.403030
C -6.329589 0.719132 -1.110389
C -7.191264 -0.293708 -1.627412
C -5.341133 -0.876819 0.342905
C -5.398660 0.462919 -0.131550
C -7.143677 -1.592281 -1.173238
C -6.192688 -1.864359 -0.163953
C -7.669060 1.662108 -2.698305
C 3.634284 -0.478450 0.402011
C 5.991892 0.901345 -0.271130
C 5.358166 1.115627 0.977676
C 5.403719 -0.010656 -1.179866
C 4.186053 0.422654 1.319702
C 4.229565 -0.702255 -0.846558
C -4.375041 -1.232199 1.395905
C 2.407186 -1.226726 0.741214
C -3.099244 -0.831588 1.388951
C -2.131169 -1.192849 2.469053
C 1.312679 -0.651566 1.255313
C 0.112105 -1.450457 1.563519
C 7.269637 2.373556 -1.641046
C 5.464178 2.271260 3.092343
C 5.544989 -1.046045 -3.360770
H -4.747194 1.235417 0.266314
H -7.796302 -2.367689 -1.563680
H -6.124313 -2.883177 0.217750
H -8.543713 2.251896 -2.394525
H -7.274013 1.842226 -3.706601
H 3.709472 0.575978 2.282269
H 3.781804 -1.404225 -1.542036
H -4.776846 -1.865396 2.191348
H 2.441199 -2.306391 0.534563
H -2.679140 -0.212395 0.591301
H -2.028594 -2.288594 2.608944
H -2.360429 -0.699381 3.433847
H 1.235713 0.419089 1.465255
H 7.123451 1.780464 -2.550894
H 6.530762 3.172535 -1.555179
H 8.291287 2.763992 -1.578133
H 4.457054 2.691700 3.028859
H 5.491366 1.352698 3.685218
H 6.176970 3.010887 3.482275
H 6.272675 -0.933921 -4.175436
H 4.545479 -0.736263 -3.677980
H 5.554098 -2.066903 -2.967744


%chk=000245686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245686

0 1
O -7.174591 1.950043 -0.499496
O -7.852064 0.661681 -2.406776
O 7.104448 1.583166 -0.539191
O 5.564435 2.523738 1.418621
O 6.282885 -0.575481 -2.150247
O -0.837388 -0.991923 2.647616
O -0.424130 -2.437857 0.843765
C -6.426606 0.745439 -0.570622
C -6.829663 -0.012036 -1.695245
C -4.856744 -0.976533 0.062138
C -5.457973 0.299740 0.321544
C -6.271569 -1.261436 -1.970906
C -5.277115 -1.728018 -1.072099
C -7.957021 1.999028 -1.761039
C 3.365972 -0.290308 0.224864
C 5.865133 0.970349 -0.367651
C 5.047977 1.431991 0.714500
C 5.411923 -0.143921 -1.135102
C 3.817978 0.807958 1.005947
C 4.173863 -0.757214 -0.846082
C -3.812116 -1.547459 0.930043
C 2.094168 -0.971187 0.478228
C -3.237038 -0.972129 2.026228
C -2.175793 -1.660370 2.839786
C 1.172287 -0.683175 1.450493
C -0.067856 -1.469363 1.566824
C 7.454012 2.090496 -1.884493
C 4.790470 3.010455 2.563478
C 5.900058 -1.770214 -2.908008
H -5.174424 0.904056 1.186617
H -6.586461 -1.849333 -2.836352
H -4.808551 -2.700261 -1.261061
H -9.013015 2.198531 -1.522055
H -7.513498 2.757030 -2.433597
H 3.199494 1.176082 1.827738
H 3.823245 -1.610961 -1.434192
H -3.453893 -2.546072 0.640638
H 1.846706 -1.809971 -0.189320
H -3.512593 0.040618 2.349388
H -2.078603 -2.724058 2.561955
H -2.344616 -1.554731 3.924210
H 1.299719 0.126255 2.175567
H 7.508386 1.267657 -2.615270
H 6.712531 2.844696 -2.209726
H 8.438017 2.565062 -1.754192
H 3.794458 3.381661 2.251336
H 4.669791 2.222545 3.332200
H 5.383830 3.840902 2.972631
H 6.730830 -1.942224 -3.607917
H 4.962862 -1.606577 -3.474211
H 5.785937 -2.646168 -2.241303


