%chk=000209007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209007

0 1
S -0.641782 3.004037 -0.650503
O -0.332185 0.000434 2.352624
N 0.538280 0.260826 0.264104
C 1.285114 1.491630 0.634866
C 2.348551 1.806039 -0.437237
C 0.319210 2.666126 0.845662
C 3.400993 0.734716 -0.520036
C -0.236859 -0.413273 1.205453
C 3.438445 -0.135379 -1.619842
C 4.355489 0.603094 0.501078
C -0.901934 -1.656102 0.697152
C -2.202036 2.215558 -0.438845
C 4.420438 -1.127508 -1.694725
C 5.333479 -0.391017 0.421096
C 5.368708 -1.258378 -0.675944
C -1.875187 -1.583295 -0.307105
C -0.556977 -2.888463 1.266824
C -3.007706 2.172490 -1.582936
C -2.642524 1.691001 0.775767
C -2.498266 -2.753871 -0.749044
C -1.181105 -4.055415 0.816748
C -4.277004 1.593796 -1.497767
C -3.913728 1.111086 0.848608
C -2.149478 -3.988316 -0.190658
C -4.731017 1.062137 -0.284881
H 1.796914 1.291220 1.622332
H 1.868079 1.965764 -1.426819
H 2.825775 2.781463 -0.202539
H -0.347770 2.449392 1.713188
H 0.865112 3.594089 1.102770
H 0.576312 -0.036564 -0.706533
H 2.707351 -0.039632 -2.419460
H 4.334799 1.273668 1.357560
H 4.445441 -1.800508 -2.550451
H 6.070770 -0.490760 1.216420
H 6.131403 -2.031625 -0.735636
H -2.157966 -0.617552 -0.732142
H 0.189167 -2.932093 2.061443
H -2.661271 2.586493 -2.529659
H -2.007365 1.714935 1.668495
H -3.258230 -2.702348 -1.527045
H -0.915286 -5.016171 1.254894
H -4.915391 1.558905 -2.379343
H -4.262232 0.695508 1.794183
H -2.635646 -4.898985 -0.538288
H -5.720383 0.613247 -0.223829


%chk=000209007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209007

0 1
S -0.672450 3.358503 -0.363150
O -0.150870 -0.077480 2.600992
N 0.557247 0.317040 0.429616
C 1.276080 1.547555 0.803657
C 2.315804 1.913863 -0.288051
C 0.314124 2.719897 1.115841
C 3.300061 0.794434 -0.600746
C -0.104832 -0.441642 1.377502
C 3.305912 0.171561 -1.874980
C 4.228526 0.345754 0.375060
C -0.750745 -1.712352 0.895385
C -2.231209 2.372105 -0.392062
C 4.210547 -0.875622 -2.168632
C 5.133576 -0.698222 0.086664
C 5.127018 -1.314932 -1.187276
C -1.198035 -1.890158 -0.439861
C -0.940583 -2.754594 1.837829
C -2.989575 2.480888 -1.586507
C -2.717906 1.591760 0.681578
C -1.804019 -3.104550 -0.829669
C -1.539110 -3.969698 1.445384
C -4.229608 1.814909 -1.699924
C -3.956704 0.921686 0.554401
C -1.967878 -4.150114 0.108487
C -4.719664 1.028765 -0.630439
H 1.801699 1.337473 1.759592
H 1.771914 2.214401 -1.204158
H 2.856775 2.811859 0.068832
H -0.374108 2.442910 1.928669
H 0.895719 3.599297 1.444034
H 0.699009 -0.057668 -0.509754
H 2.607953 0.519091 -2.647938
H 4.244235 0.817729 1.365699
H 4.201317 -1.343146 -3.159721
H 5.844228 -1.030840 0.851671
H 5.829573 -2.125278 -1.411157
H -1.126012 -1.071019 -1.165402
H -0.615575 -2.585659 2.869679
H -2.613156 3.084184 -2.420738
H -2.155618 1.485265 1.613833
H -2.159504 -3.229564 -1.858278
H -1.673549 -4.773711 2.177341
H -4.807705 1.909722 -2.626173
H -4.317594 0.311420 1.389622
H -2.436273 -5.092615 -0.196567
H -5.678533 0.507193 -0.720183


