%chk=000276730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276730

0 1
S -1.956757 -1.741756 -0.000171
O -2.166617 -2.473224 -1.235090
O -2.166653 -2.473395 1.234641
O 5.363205 1.520902 0.000008
N 4.332167 0.831960 -0.000003
C -0.391244 -0.973604 -0.000084
C -0.525986 0.460482 -0.000028
C -1.959094 0.866252 -0.000008
C -2.841679 -0.243645 -0.000092
C 0.816162 -1.609829 -0.000073
C 0.594876 1.261178 0.000005
C 2.011446 -0.794633 -0.000046
C 1.897906 0.620714 -0.000009
C -2.497356 2.149593 0.000084
C -4.212527 -0.088564 -0.000118
C 0.939512 -3.093682 -0.000108
C 0.517034 2.751277 -0.000002
C 3.318724 -1.364563 -0.000063
C 3.089730 1.395849 0.000009
C -3.896225 2.313306 0.000070
C -4.749294 1.213747 -0.000038
C 4.440446 -0.578881 -0.000041
H -1.867564 3.036347 0.000187
H -4.880379 -0.953464 -0.000195
H 1.473368 -3.458685 0.891521
H -0.026684 -3.629439 0.000305
H 1.472616 -3.458665 -0.892204
H 1.504077 3.241940 0.000580
H -0.010827 3.123132 -0.892605
H -0.011862 3.123131 0.891988
H 3.433142 -2.453056 -0.000100
H 3.034850 2.494226 0.000037
H -4.310712 3.323072 0.000147
H -5.829437 1.353120 -0.000056
H 5.459136 -0.980342 -0.000047


%chk=000276730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276730

0 1
S -2.007024 -1.849663 0.000003
O -2.251140 -2.663014 -1.396739
O -2.251103 -2.663047 1.396733
O 5.491331 1.549019 -0.000279
N 4.380712 0.813697 -0.000204
C -0.343619 -0.945107 0.000000
C -0.524479 0.477694 0.000070
C -1.963935 0.889061 -0.000029
C -2.889311 -0.184245 -0.000004
C 0.859608 -1.630359 -0.000024
C 0.625400 1.297865 0.000197
C 2.036828 -0.803292 -0.000072
C 1.927143 0.645494 0.000027
C -2.542625 2.188600 -0.000245
C -4.278763 -0.070126 -0.000080
C 0.950196 -3.142417 -0.000066
C 0.519297 2.811754 0.000521
C 3.351769 -1.375663 -0.000220
C 3.134012 1.400793 -0.000054
C -3.946779 2.348902 -0.000317
C -4.820188 1.237850 -0.000217
C 4.486221 -0.590494 -0.000281
H -1.923416 3.083648 -0.000394
H -4.920784 -0.956042 -0.000061
H 1.490021 -3.504456 0.893687
H -0.040244 -3.621353 0.000330
H 1.489321 -3.504445 -0.894249
H 1.496507 3.311825 0.001033
H -0.021125 3.172638 -0.893385
H -0.021753 3.172167 0.894223
H 3.476475 -2.461006 -0.000303
H 3.183449 2.487409 -0.000036
H -4.361799 3.362183 -0.000475
H -5.904526 1.384661 -0.000291
H 5.511825 -0.959732 -0.000398


