%chk=000208102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208102

0 1
S 4.096504 -0.902260 -1.367206
O 0.476158 1.711354 0.602447
N -1.506515 0.071857 0.400452
C -0.221051 -0.675034 0.474527
C 0.917296 0.361617 0.762299
C -2.637768 -0.750696 -0.125965
C -3.954924 0.062999 -0.069642
C -0.191959 -1.777113 1.542362
C 2.124711 0.115635 -0.108547
C -3.933139 1.217930 -1.075033
C -5.143148 -0.869666 -0.336453
C 2.813166 1.215169 -0.761270
C 2.706934 -1.094958 -0.341248
C 3.896165 0.824504 -1.481249
H -0.046018 -1.138879 -0.533114
H 1.222476 0.349155 1.838606
H -2.765195 -1.707495 0.425071
H -2.405073 -1.019179 -1.179649
H -4.068700 0.491877 0.957736
H -1.744226 0.465466 1.318365
H 0.789550 -2.261523 1.595647
H -0.417198 -1.388813 2.542260
H -0.926456 -2.561406 1.326313
H -3.892240 0.858317 -2.108511
H -4.820864 1.850524 -0.978729
H -3.050645 1.852769 -0.920333
H -5.073193 -1.346195 -1.320450
H -6.088596 -0.315306 -0.315189
H -5.214355 -1.663704 0.413595
H 2.457847 2.233873 -0.644222
H -0.124061 1.793266 -0.180913
H 2.412553 -2.064034 0.018432
H 4.575364 1.428750 -2.055988


%chk=000208102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208102

0 1
S 4.709463 -0.551924 -0.267418
O 0.298794 1.721124 0.102615
N -1.572547 -0.070858 0.556595
C -0.215239 -0.661034 0.342117
C 0.825033 0.477519 0.660927
C -2.673664 -0.641261 -0.262047
C -4.024255 0.069125 0.003693
C 0.049676 -1.946790 1.149434
C 2.188829 0.199509 0.067776
C -3.981354 1.559217 -0.404436
C -5.162713 -0.677851 -0.730043
C 2.489545 0.401450 -1.336015
C 3.270245 -0.299563 0.776745
C 3.780954 0.052979 -1.684261
H -0.139260 -0.878505 -0.741031
H 0.912432 0.555105 1.770121
H -2.803810 -1.735413 -0.083292
H -2.400050 -0.517013 -1.328403
H -4.226360 0.012311 1.096442
H -1.821492 -0.076559 1.558736
H 1.060066 -2.340549 0.940688
H -0.018605 -1.747697 2.237139
H -0.683800 -2.733906 0.896868
H -3.819574 1.657633 -1.495346
H -4.932910 2.064747 -0.156507
H -3.162843 2.093444 0.108966
H -4.994347 -0.668399 -1.824294
H -6.138249 -0.195624 -0.537561
H -5.233924 -1.733027 -0.405422
H 1.765461 0.834109 -2.029787
H -0.703177 1.557672 0.143347
H 3.345410 -0.524773 1.839900
H 4.275668 0.113604 -2.651841


