%chk=000288875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288875

0 1
S -2.514924 -1.503146 2.343670
O -3.589048 2.419430 -0.683128
N -2.960681 -0.249931 0.072100
C 2.712282 -0.376699 -0.324984
C 1.481238 -1.306876 -0.600782
C 2.447359 1.090028 -0.727215
C 3.171008 -0.428887 1.147372
C 0.262632 -0.833394 0.232681
C 3.696123 1.957437 -0.513887
C 4.417827 0.437504 1.373726
C 4.177369 1.890232 0.941788
C 1.144797 -1.261497 -2.106658
C 1.851734 -2.756639 -0.233228
C -0.973684 -1.734382 0.098322
C -2.164455 -1.103228 0.761037
C -4.120864 0.456813 0.685275
C -2.672877 0.238821 -1.305199
C -3.865242 1.970947 0.661895
C -2.452369 1.762363 -1.271564
H 3.553423 -0.755924 -0.957263
H 2.135722 1.145361 -1.786687
H 1.608140 1.499025 -0.133206
H 2.352790 -0.087413 1.811184
H 3.389079 -1.471552 1.444829
H 0.009795 0.205998 -0.051005
H 0.552086 -0.783613 1.305346
H 3.477317 3.005199 -0.791029
H 4.505528 1.623873 -1.191153
H 5.273955 0.016932 0.812337
H 4.706297 0.404665 2.441019
H 5.104577 2.479980 1.062391
H 3.426580 2.358483 1.606778
H 0.319510 -1.936987 -2.353015
H 0.863963 -0.255099 -2.431555
H 2.003884 -1.571331 -2.712236
H 1.090193 -3.468118 -0.567784
H 1.957128 -2.884714 0.850363
H 2.797939 -3.059054 -0.693813
H -1.169641 -1.977002 -0.967406
H -0.764712 -2.719634 0.580383
H -4.307981 0.109989 1.732534
H -5.033458 0.201884 0.099697
H -3.548389 -0.003167 -1.953104
H -1.791746 -0.275745 -1.746409
H -4.770791 2.549794 0.920213
H -3.028372 2.261728 1.321279
H -1.540920 2.037271 -0.711884
H -2.423020 2.199977 -2.286223


%chk=000288875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288875

0 1
S -2.434302 -1.446226 2.479564
O -3.925779 2.384921 -0.814978
N -3.008959 -0.205086 0.111521
C 2.750410 -0.352491 -0.302303
C 1.500996 -1.273525 -0.618160
C 2.533435 1.152467 -0.631044
C 3.287693 -0.480590 1.150967
C 0.236985 -0.751476 0.138658
C 3.830872 1.976449 -0.438275
C 4.583328 0.342699 1.359458
C 4.379701 1.831629 0.999480
C 1.246051 -1.265035 -2.153365
C 1.817195 -2.737362 -0.198732
C -1.006817 -1.687506 0.084056
C -2.197320 -1.071038 0.811785
C -4.191609 0.448621 0.726457
C -2.820787 0.207895 -1.302299
C -4.076214 1.977498 0.596605
C -2.736816 1.749238 -1.393366
H 3.561464 -0.717771 -0.975223
H 2.170981 1.279250 -1.669241
H 1.752011 1.567428 0.038423
H 2.519821 -0.126136 1.869089
H 3.490653 -1.539050 1.396277
H -0.036295 0.243019 -0.266842
H 0.477601 -0.600389 1.208260
H 3.638796 3.042301 -0.671171
H 4.598112 1.624168 -1.159092
H 5.387467 -0.078407 0.720080
H 4.925260 0.244264 2.408336
H 5.331369 2.387813 1.106645
H 3.659977 2.285229 1.712308
H 0.430753 -1.959644 -2.430130
H 0.975097 -0.259676 -2.525451
H 2.152271 -1.592032 -2.698000
H 1.077230 -3.440136 -0.623122
H 1.807347 -2.867621 0.898121
H 2.814074 -3.042157 -0.570751
H -1.256660 -1.949009 -0.962562
H -0.775936 -2.627049 0.608065
H -4.237275 0.137110 1.784906
H -5.100803 0.095475 0.201111
H -3.691134 -0.143213 -1.892248
H -1.908565 -0.235890 -1.725208
H -4.996502 2.471044 0.947687
H -3.209465 2.342699 1.187319
H -1.820722 2.103588 -0.871015
H -2.707888 2.073413 -2.446798


