%chk=000238658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238658

0 1
S -1.636238 1.836331 -0.089930
O 1.335355 -1.116825 2.638645
O -0.588419 2.335330 -0.962917
O -2.685032 2.734579 0.349185
O 3.704512 0.006010 -1.571227
O 0.417769 0.592450 3.810484
O 1.581003 -0.683556 -1.201779
N -0.880051 1.333831 1.382059
C 0.399386 0.610803 1.332738
C 1.604385 1.470408 0.886932
C 2.800405 0.601924 0.500798
C 0.677438 0.084654 2.747807
C -2.297509 0.391653 -0.731882
C 2.567061 -0.096896 -0.811740
C -1.521697 -0.450408 -1.537474
C -3.630112 0.056529 -0.453897
C -3.404865 -1.961307 -1.781531
C -2.070827 -1.622116 -2.059795
C -4.183726 -1.110894 -0.973806
C 1.726767 -1.806868 3.868682
C -4.005303 -3.209723 -2.335195
C 3.720197 -0.621175 -2.893792
C 2.965867 -1.160756 4.451660
C 3.924200 -2.114832 -2.752553
H 0.293309 -0.272442 0.629391
H 1.298207 2.108508 0.017128
H 1.893004 2.188717 1.678486
H -0.977701 1.941235 2.211003
H 3.725558 1.217796 0.450757
H 2.994282 -0.174558 1.281239
H -0.474399 -0.196695 -1.764948
H -4.242146 0.719343 0.169766
H -1.456594 -2.271762 -2.681164
H -5.219015 -1.365585 -0.756205
H 0.870318 -1.789879 4.566424
H 1.902988 -2.828700 3.485825
H -4.406632 -3.851584 -1.536535
H -3.287555 -3.816513 -2.903580
H -4.841431 -2.981644 -3.013969
H 4.579820 -0.103207 -3.357445
H 2.779661 -0.364945 -3.413122
H 3.774831 -1.089400 3.714994
H 2.751960 -0.140333 4.805366
H 3.346089 -1.728544 5.309869
H 4.079053 -2.592186 -3.727330
H 3.050282 -2.592722 -2.284940
H 4.794546 -2.345947 -2.125083


%chk=000238658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000238658

0 1
S -2.055039 1.987238 0.263829
O 1.350959 -1.135150 2.286030
O -1.228280 2.918661 -0.793825
O -3.346296 2.586652 1.048097
O 3.856020 -0.304357 -1.063817
O 0.874705 0.682345 3.675570
O 1.621813 0.128522 -1.566066
N -0.993518 1.330541 1.626936
C 0.347102 0.804359 1.265023
C 1.371426 1.869706 0.763206
C 2.728514 1.272466 0.340129
C 0.862932 0.139050 2.546897
C -2.526957 0.392610 -0.614374
C 2.632413 0.326993 -0.849426
C -1.711520 -0.064526 -1.660735
C -3.702602 -0.253986 -0.199591
C -3.285246 -1.946925 -1.945368
C -2.105490 -1.252279 -2.318756
C -4.074812 -1.431838 -0.880854
C 1.940356 -1.879725 3.449720
C -3.716003 -3.202500 -2.681595
C 3.922509 -1.283625 -2.195202
C 3.410407 -1.501371 3.646381
C 3.476393 -2.671941 -1.728178
H 0.214894 0.026865 0.495410
H 0.907034 2.397916 -0.088024
H 1.537032 2.609825 1.569473
H -0.985166 2.035818 2.386552
H 3.420020 2.089701 0.056999
H 3.226943 0.732303 1.165938
H -0.804354 0.473275 -1.953752
H -4.305099 0.162094 0.614238
H -1.483316 -1.638438 -3.133837
H -4.989549 -1.957395 -0.582764
H 1.338899 -1.651322 4.346701
H 1.815533 -2.935764 3.163495
H -4.066230 -3.981916 -1.981354
H -2.892025 -3.625242 -3.281036
H -4.553049 -2.985526 -3.372649
H 4.983314 -1.265386 -2.491350
H 3.289233 -0.911621 -3.019565
H 3.986127 -1.659033 2.717511
H 3.507605 -0.447970 3.958739
H 3.853454 -2.134436 4.437239
H 3.597083 -3.399182 -2.552524
H 2.415100 -2.662697 -1.427909
H 4.085732 -3.014688 -0.874164


