%chk=000192728.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000192728

0 1
S -0.332378 0.887094 -1.672640
O -0.367845 -0.330031 -2.477268
O 0.334295 2.058903 -2.197457
O 0.756893 -2.456337 1.372179
O 0.596909 -4.600713 -1.933421
O -0.792046 -6.106590 -1.033014
N 0.458508 0.406753 -0.223981
N -0.332819 -2.495615 -0.634043
N 6.867134 2.059903 1.244648
C 1.389306 -0.742146 -0.267741
C 2.635546 -0.522598 0.605858
C 3.602472 0.487647 -0.018913
C 4.804202 0.739751 0.898971
C 0.608355 -1.975727 0.262881
C 5.775906 1.752990 0.272164
C -1.899439 1.319625 -1.127103
C -2.388059 2.610937 -1.368833
C -2.700736 0.388403 -0.454609
C -0.992423 -3.770621 -0.336328
C -4.471898 2.037118 -0.266527
C -3.664970 2.970259 -0.943562
C -3.979234 0.742275 -0.025383
C -5.843970 2.414756 0.177012
C -0.427369 -4.956548 -1.093729
H 1.714476 -0.958733 -1.325593
H 3.146214 -1.496962 0.763751
H 2.336177 -0.207248 1.627386
H 3.081419 1.443792 -0.226399
H 3.949313 0.119831 -1.005075
H 5.328572 -0.210856 1.114337
H 4.465392 1.120909 1.884775
H 0.699106 1.096617 0.494586
H 5.241927 2.706709 0.057488
H 6.150114 1.371346 -0.702208
H -0.378795 -2.167335 -1.614548
H -1.761828 3.343304 -1.894805
H -2.325782 -0.622517 -0.258154
H -2.084052 -3.697506 -0.567550
H -0.912767 -3.994735 0.766837
H 7.378915 1.217694 1.488686
H 7.535209 2.703329 0.831420
H -4.038852 3.974461 -1.137101
H -4.596256 0.013546 0.497896
H -6.577399 2.225444 -0.623739
H -6.177812 1.844915 1.055910
H -5.925334 3.479686 0.438085
H 0.967702 -5.380677 -2.431646


%chk=000192728-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000192728

0 1
S -0.325021 0.590633 -1.638003
O -0.568361 -0.793200 -2.482704
O 0.535644 1.787197 -2.337342
O 1.308265 -3.102709 1.264506
O 0.710020 -4.970409 -2.140925
O -1.078229 -6.332893 -1.553352
N 0.345537 -0.053635 -0.024200
N -0.144777 -2.914603 -0.552646
N 6.577739 2.488140 1.180388
C 1.438279 -1.077054 -0.162845
C 2.676464 -0.670102 0.659771
C 3.480692 0.482263 0.017665
C 4.639184 0.958545 0.920310
C 0.867535 -2.458470 0.264558
C 5.508033 2.048770 0.260526
C -1.953382 1.315853 -1.044940
C -2.218305 2.656095 -1.366589
C -2.846330 0.492230 -0.339600
C -0.750611 -4.219004 -0.338843
C -4.398105 2.409633 -0.235844
C -3.455384 3.195562 -0.950324
C -4.073743 1.058632 0.065874
C -5.736758 2.992310 0.176224
C -0.422687 -5.281236 -1.387667
H 1.727124 -1.164155 -1.232220
H 3.315330 -1.564703 0.770518
H 2.361687 -0.408330 1.689951
H 2.820504 1.345857 -0.211647
H 3.882100 0.144018 -0.959973
H 5.279911 0.089677 1.182845
H 4.246497 1.359338 1.874892
H 0.640660 0.770766 0.532674
H 4.873030 2.926912 0.032104
H 5.881921 1.661465 -0.720272
H -0.411387 -2.334665 -1.367635
H -1.482758 3.247574 -1.921598
H -2.586321 -0.542689 -0.098400
H -1.852589 -4.160645 -0.280651
H -0.383788 -4.592880 0.638015
H 7.218386 1.735583 1.454420
H 7.084622 3.323614 0.872221
H -3.689894 4.239930 -1.184889
H -4.787354 0.443877 0.625874
H -6.494866 2.824310 -0.613019
H -6.117414 2.524279 1.100329
H -5.672723 4.081331 0.342591
H 0.883621 -5.708510 -2.786628


