%chk=000235679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235679

0 1
S 1.778802 0.159596 0.405949
O 2.170781 1.530235 0.693312
O 2.259748 -0.907984 1.268638
N 2.397786 -0.264278 -1.152865
C 0.074480 0.103462 0.221800
C -0.617626 -1.099106 0.003313
C -2.018273 -1.074858 -0.131111
C -2.722273 0.129319 -0.044164
C -0.639879 1.310692 0.311773
C -2.021288 1.333427 0.180100
C 0.103668 -2.397657 -0.093766
C -4.208017 0.157550 -0.179254
C 2.535849 0.855728 -2.113561
H -0.094907 2.247549 0.493623
H -2.554458 -2.005881 -0.301457
H -2.563957 2.272607 0.253968
H -0.563537 -3.268177 -0.091479
H 0.706107 -2.454045 -1.016332
H 0.814746 -2.541898 0.746947
H 3.231372 -0.866307 -1.154895
H -4.635063 -0.818834 -0.444633
H -4.683757 0.470579 0.763208
H -4.529958 0.870821 -0.952473
H 3.003610 0.501170 -3.046632
H 3.135857 1.699982 -1.726009
H 1.535889 1.241708 -2.379700


%chk=000235679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235679

0 1
S 1.872940 0.202134 0.442949
O 2.234545 1.771665 0.725855
O 2.430564 -0.960823 1.438887
N 2.489122 -0.322473 -1.261519
C -0.001670 0.108138 0.217019
C -0.644801 -1.131179 -0.009148
C -2.058679 -1.068287 -0.130890
C -2.787814 0.143096 -0.028205
C -0.673536 1.336996 0.332634
C -2.076450 1.349208 0.205068
C 0.090034 -2.450440 -0.126129
C -4.300569 0.154263 -0.151309
C 2.604036 0.826706 -2.198981
H -0.099247 2.249694 0.523715
H -2.601081 -2.004492 -0.310500
H -2.619537 2.297331 0.290329
H -0.615176 -3.273108 -0.327786
H 0.833866 -2.406625 -0.942567
H 0.650571 -2.674692 0.798514
H 3.407166 -0.760733 -1.045301
H -4.695185 -0.835697 -0.435383
H -4.772955 0.442147 0.806827
H -4.635473 0.885195 -0.910019
H 3.036958 0.435075 -3.137220
H 3.231570 1.659540 -1.826044
H 1.596504 1.212761 -2.426496


