%chk=000273646.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273646

0 1
S 2.131282 2.759098 0.468616
S 0.239057 1.937393 -1.605376
O 4.793314 -2.201465 -0.172472
O -2.764362 1.921042 0.036692
O -0.516108 3.355760 1.438575
O -4.529210 -1.845437 -2.418683
O -4.466745 -2.918348 -0.457824
C 2.176112 -0.378387 -0.030319
C 2.418735 -1.833326 0.485857
C 0.931505 0.279952 0.604307
C -0.338077 -0.599610 0.448389
C 1.126649 -2.675315 0.403567
C -0.064478 -1.984595 1.067626
C 3.433025 -2.414249 -0.559888
C 2.198058 -0.512242 -1.567990
C -1.619523 0.029369 1.081681
C 0.694486 1.715349 0.144369
C 3.133090 -1.693029 -1.888872
C 3.000328 -1.858479 1.897083
C -1.786847 1.472271 0.569508
C -0.526073 2.333842 0.813220
C -2.870948 -0.801337 0.713984
C -1.532337 0.140289 2.611951
C 1.714230 4.068773 -0.728637
C 1.259938 3.405855 -2.004550
C -3.141075 -0.870174 -0.791452
C -4.085534 -1.982212 -1.120506
H 3.063443 0.236174 0.268367
H 1.150459 0.334461 1.711821
H -0.535866 -0.737963 -0.647463
H 1.293117 -3.662787 0.876152
H 0.883929 -2.886932 -0.657044
H -0.964939 -2.625196 0.968015
H 0.119367 -1.891490 2.156084
H 3.393326 -3.519797 -0.634103
H 2.556436 0.414454 -2.045532
H 1.187306 -0.702430 -1.968606
H 2.673106 -2.379149 -2.618341
H 4.073958 -1.351680 -2.356263
H 3.270382 -2.880005 2.194851
H 3.921072 -1.267530 1.971555
H 2.293338 -1.471933 2.637267
H -2.766289 -1.829635 1.125679
H -3.759811 -0.369701 1.221829
H -1.552483 -0.847944 3.088945
H -0.612352 0.636833 2.943717
H -2.376712 0.706124 3.028968
H 4.989629 -1.248094 -0.083626
H 2.618272 4.693488 -0.873997
H 0.933186 4.729674 -0.292629
H 0.634189 4.080735 -2.624824
H 2.111875 3.076453 -2.632682
H -3.549773 0.106269 -1.156872
H -2.196409 -1.009536 -1.368180
H -5.161652 -2.563851 -2.686741


%chk=000273646-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000273646

0 1
S 2.291118 2.752565 0.155816
S 0.043347 1.782173 -1.724774
O 5.033267 -1.957942 0.054402
O -2.849152 2.014401 0.645597
O -0.425736 3.412431 1.451584
O -4.745187 -1.434924 -2.548021
O -5.053081 -2.336222 -0.431923
C 2.286056 -0.424810 -0.001541
C 2.548314 -1.862393 0.563712
C 1.001681 0.232000 0.586956
C -0.273297 -0.659788 0.429557
C 1.274562 -2.727712 0.337658
C 0.012995 -2.093705 0.960940
C 3.685196 -2.380236 -0.379061
C 2.378197 -0.596222 -1.549857
C -1.573537 -0.049973 1.088835
C 0.745782 1.685211 0.100643
C 3.333173 -1.812547 -1.783860
C 2.975863 -1.881339 2.046564
C -1.733377 1.457415 0.789520
C -0.440069 2.313458 0.848394
C -2.867702 -0.803812 0.661108
C -1.501142 -0.084873 2.657853
C 1.511131 4.080066 -0.935741
C 0.924009 3.407911 -2.185971
C -3.191195 -0.747772 -0.844353
C -4.404668 -1.585278 -1.193610
H 3.134314 0.219009 0.319556
H 1.196567 0.339745 1.678288
H -0.467112 -0.743777 -0.660258
H 1.433886 -3.733419 0.774432
H 1.106183 -2.877387 -0.747123
H -0.857982 -2.743177 0.753555
H 0.130592 -2.067513 2.059966
H 3.756133 -3.481143 -0.361463
H 2.746386 0.328086 -2.025467
H 1.385371 -0.793265 -1.988228
H 2.842188 -2.581969 -2.406096
H 4.263021 -1.531122 -2.309368
H 3.205182 -2.913133 2.371133
H 3.889468 -1.282844 2.203044
H 2.188049 -1.487627 2.713735
H -2.803758 -1.856492 0.989795
H -3.717212 -0.360893 1.211050
H -1.579499 -1.125147 3.016003
H -0.565905 0.350529 3.052715
H -2.345813 0.481939 3.087486
H 5.106589 -0.973519 -0.041754
H 2.320977 4.778965 -1.204908
H 0.748914 4.601312 -0.340412
H 0.169975 4.053840 -2.665588
H 1.709931 3.137836 -2.908690
H -3.384914 0.290897 -1.168428
H -2.354993 -1.112918 -1.472073
H -5.544492 -1.995093 -2.746122


