%chk=000251580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251580

0 1
S 2.503397 1.107203 -0.624150
O 3.318362 1.063638 -1.819617
O 2.387882 2.312580 0.157743
N 0.939716 0.671645 -1.231553
C -2.594803 0.153372 -0.320702
C -1.433124 0.055886 -1.081187
C -2.730422 0.888720 0.910106
C -3.850713 -0.475006 -0.659517
C -0.288069 0.769216 -0.540792
C -4.132548 0.690254 1.331042
C -1.632809 1.563910 1.376246
C -4.780871 -0.096490 0.426149
C -0.414705 1.499971 0.637324
C -1.537506 -0.729633 -2.272197
C -3.913895 -1.218980 -1.807472
C -2.731338 -1.334647 -2.608240
C 2.908233 -0.215511 0.404690
C 3.713336 -1.249637 -0.087451
C 2.446585 -0.254037 1.724460
C 4.049933 -2.326054 0.737146
C 2.781600 -1.331225 2.550419
C 3.581487 -2.366809 2.055582
H -4.534272 1.126040 2.227620
H -1.661414 2.156218 2.289241
H -5.804655 -0.419452 0.450112
H 0.418553 2.105998 1.009243
H -0.665467 -0.847276 -2.912095
H 0.871054 0.369607 -2.214160
H -4.824794 -1.718597 -2.127112
H -2.797095 -1.929711 -3.518979
H 4.088022 -1.212841 -1.117335
H 1.826392 0.558350 2.118927
H 4.676939 -3.130553 0.354732
H 2.419710 -1.362374 3.577574
H 3.842499 -3.208077 2.699703


%chk=000251580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251580

0 1
S 2.635888 1.403687 -0.508979
O 3.747231 1.427608 -1.696005
O 2.597506 2.485283 0.701599
N 0.882416 1.641783 -1.484852
C -2.308017 0.231281 -0.105695
C -1.160942 0.272044 -0.922420
C -2.638849 1.186274 0.910250
C -3.316787 -0.784122 -0.165412
C -0.274912 1.414412 -0.716993
C -3.913440 0.737317 1.504191
C -1.760341 2.265223 1.107946
C -4.318391 -0.432583 0.867410
C -0.598381 2.370896 0.285526
C -1.014516 -0.802162 -1.867204
C -3.158490 -1.817220 -1.097878
C -1.993092 -1.809534 -1.940199
C 2.656288 -0.322726 0.276861
C 3.237034 -1.368454 -0.460738
C 2.093910 -0.476533 1.555289
C 3.248489 -2.653896 0.128090
C 2.109660 -1.772718 2.121356
C 2.681058 -2.853868 1.409534
H -4.444009 1.246328 2.311253
H -1.953453 3.037809 1.860348
H -5.219353 -1.007903 1.089821
H 0.079519 3.221395 0.403976
H -0.147599 -0.855928 -2.537816
H 1.003427 0.995546 -2.287334
H -3.892420 -2.624650 -1.199048
H -1.864536 -2.621388 -2.664824
H 3.690181 -1.174128 -1.438586
H 1.683770 0.384190 2.092510
H 3.703632 -3.491826 -0.410069
H 1.680746 -1.932531 3.115871
H 2.691976 -3.853208 1.857722


