%chk=000278252.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278252

0 1
S -4.448353 -0.259279 -1.200065
O -3.600095 0.507664 -2.098446
O -5.472662 -1.121401 -1.769548
O 2.521062 3.664689 0.984085
O 2.646284 -2.275508 -0.110503
O 4.770909 2.660048 0.249708
N 0.276856 -1.387602 0.539173
C -5.220460 0.862652 -0.075736
C -3.405516 -1.198243 -0.160007
C -6.223575 1.740781 -0.828365
C -3.882747 -2.222142 0.664976
C 2.256320 0.015580 0.333804
C -2.036696 -0.909669 -0.217814
C -1.137444 -1.617630 0.588964
C -6.930664 2.726862 0.113714
C 0.883510 -0.139885 0.615008
C 2.852839 1.315115 0.442959
C 4.521290 -0.892124 -0.423582
C 3.088677 -1.129523 -0.065844
C -2.965745 -2.937201 1.468955
C 5.094057 0.387106 -0.323236
C -1.610469 -2.642547 1.440098
C 4.274814 1.538163 0.135209
C 2.074158 2.398386 0.840135
C 0.107642 1.009046 1.039341
C -5.325749 -2.585385 0.730413
C -7.928257 3.599533 -0.643451
C 0.677675 2.239297 1.147891
C 5.300886 -1.969090 -0.862079
C 6.439364 0.582936 -0.658941
C 6.645023 -1.769917 -1.199117
C 7.213319 -0.497625 -1.097394
H -4.474546 1.507286 0.430072
H -5.737257 0.332759 0.747320
H -5.706407 2.305138 -1.634522
H -6.980477 1.105498 -1.337609
H -1.666004 -0.141817 -0.913777
H -6.183155 3.368094 0.620578
H -7.453295 2.174072 0.918427
H 0.872599 -2.218487 0.324277
H -3.329527 -3.735197 2.116989
H -0.909165 -3.199205 2.065203
H -0.945022 0.867413 1.293000
H -5.903552 -1.889221 1.352559
H -5.803402 -2.591817 -0.275705
H -5.493971 -3.590739 1.141266
H -8.705653 2.998808 -1.130511
H -8.431941 4.302261 0.030061
H -7.437524 4.191555 -1.425448
H 0.121353 3.124293 1.464947
H 4.846422 -2.962414 -0.936399
H 6.871987 1.584674 -0.574577
H 7.247433 -2.612014 -1.541575
H 8.260342 -0.343206 -1.359576
H 3.533608 3.754279 0.756795


%chk=000278252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000278252

0 1
S -4.543267 0.081481 -1.170353
O -3.604054 1.276913 -1.790997
O -5.527815 -0.784042 -2.153487
O 2.995011 3.842456 0.026538
O 2.630688 -2.273684 0.270809
O 5.150658 2.632346 -0.248747
N 0.345352 -1.100977 0.438763
C -5.659352 0.918974 0.182413
C -3.351040 -1.080157 -0.207388
C -6.646684 1.860922 -0.506221
C -3.800194 -2.282754 0.383040
C 2.423736 0.137280 0.169108
C -2.022430 -0.634731 -0.231604
C -1.030924 -1.412313 0.424745
C -7.573015 2.549660 0.529270
C 0.991307 0.122835 0.336477
C 3.109326 1.399866 0.056751
C 4.662704 -1.034640 -0.090506
C 3.194121 -1.109278 0.122814
C -2.776631 -3.053130 1.003695
C 5.328770 0.221810 -0.220713
C -1.435387 -2.633262 1.037851
C 4.555622 1.473083 -0.140953
C 2.380295 2.627731 0.133088
C 0.297178 1.381051 0.449537
C -5.241273 -2.758185 0.381673
C -8.578441 3.505014 -0.149704
C 0.968613 2.593779 0.350904
C 5.417903 -2.232802 -0.161637
C 6.732473 0.263822 -0.421005
C 6.810602 -2.183046 -0.362409
C 7.470474 -0.932073 -0.492651
H -4.931107 1.430051 0.833343
H -6.144243 0.075571 0.700785
H -6.089996 2.627920 -1.077608
H -7.257790 1.289304 -1.230805
H -1.788767 0.261367 -0.816655
H -6.959119 3.113930 1.259664
H -8.123690 1.778932 1.105490
H 1.039331 -1.896385 0.465448
H -3.052146 -4.003709 1.474603
H -0.681429 -3.252638 1.536391
H -0.775449 1.389240 0.651424
H -5.815328 -2.303974 1.213825
H -5.749278 -2.500981 -0.563703
H -5.285771 -3.851431 0.519756
H -9.218313 2.961065 -0.868895
H -9.237661 3.985541 0.595580
H -8.053789 4.304710 -0.704226
H 0.437403 3.544981 0.444697
H 4.886633 -3.183424 -0.057176
H 7.212678 1.242320 -0.516689
H 7.387727 -3.112144 -0.418854
H 8.553849 -0.899302 -0.648749
H 4.021026 3.640209 -0.114646


