%chk=000182472.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182472

0 1
S -4.882272 -3.048698 -0.089378
O -3.452146 -3.952362 -0.066524
O -5.590930 -3.407859 1.109252
O -5.446207 -3.340573 -1.384697
C -2.627021 2.533658 0.248517
C -1.240669 2.618657 -0.424133
C -0.208832 1.719981 0.269546
C 1.174052 1.851193 -0.382498
C 2.203993 0.944436 0.304795
C 3.588545 1.076716 -0.343824
C -3.596716 3.560053 -0.378216
C 4.617735 0.168305 0.342382
C -3.194480 1.132905 0.148835
C 6.002910 0.301182 -0.304836
C 7.031945 -0.607704 0.380997
C 8.417098 -0.474481 -0.265679
C -4.920574 3.636995 0.375715
C -3.430356 0.530740 -1.100146
C -3.495361 0.419654 1.322733
C 9.447445 -1.383259 0.419519
C -3.951530 -0.759427 -1.172017
C -4.017758 -0.870989 1.248307
C -4.247661 -1.466308 0.001495
C 10.828178 -1.254804 -0.220143
H -2.499780 2.801987 1.329725
H -0.891525 3.670098 -0.404729
H -1.316344 2.349066 -1.494938
H -0.143455 1.976623 1.344469
H -0.542783 0.663660 0.232886
H 1.109725 1.596878 -1.458231
H 1.513590 2.904106 -0.341003
H 2.267827 1.194068 1.381471
H 1.867121 -0.109589 0.259970
H 3.525578 0.826448 -1.420478
H 3.927159 2.129716 -0.298433
H 4.680524 0.416411 1.419456
H 4.280370 -0.885226 0.295538
H -3.114999 4.558398 -0.384335
H -3.782973 3.310373 -1.440937
H 6.341167 1.354233 -0.258004
H 5.940689 0.052447 -1.381842
H 7.094172 -0.359937 1.458173
H 6.694308 -1.661020 0.333420
H 8.756398 0.578082 -0.219062
H 8.356717 -0.722498 -1.342769
H -5.443281 2.672133 0.378216
H -4.778899 3.933947 1.421110
H -5.594626 4.370035 -0.083156
H -3.203164 1.074759 -2.016165
H -3.321193 0.874527 2.297020
H 9.110269 -2.437230 0.371554
H 9.510478 -1.135038 1.497093
H -4.136068 -1.218868 -2.150241
H -4.254138 -1.416702 2.169479
H 11.208946 -0.229197 -0.156080
H 11.556297 -1.906588 0.275407
H 10.809019 -1.531078 -1.280493
H -3.507211 -4.848034 -0.424494


%chk=000182472-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182472

0 1
S -5.186459 -3.122560 -0.122417
O -3.588677 -4.057416 -0.316350
O -5.850971 -3.532654 1.295272
O -6.028475 -3.274638 -1.496553
C -2.680491 2.529207 0.253768
C -1.273754 2.582381 -0.415796
C -0.212140 1.692112 0.267340
C 1.181092 1.802605 -0.392354
C 2.253443 0.934819 0.303987
C 3.647051 1.036616 -0.355938
C -3.620916 3.615602 -0.349488
C 4.721845 0.179547 0.350006
C -3.292777 1.131687 0.162252
C 6.115645 0.278300 -0.310187
C 7.192183 -0.571916 0.401688
C 8.585922 -0.475509 -0.259095
C -4.986115 3.728426 0.361480
C -3.623825 0.567529 -1.100650
C -3.546666 0.370583 1.332482
C 9.663230 -1.322208 0.456772
C -4.186558 -0.720738 -1.203460
C -4.108740 -0.923200 1.262778
C -4.412115 -1.426840 -0.010446
C 11.051469 -1.222906 -0.212015
H -2.545490 2.769609 1.329542
H -0.926678 3.635989 -0.403991
H -1.363438 2.296956 -1.484522
H -0.131981 1.975791 1.338102
H -0.540521 0.633491 0.248540
H 1.105564 1.505283 -1.459312
H 1.508458 2.863684 -0.387500
H 2.330976 1.234367 1.370281
H 1.924188 -0.125264 0.302651
H 3.572258 0.727304 -1.419546
H 3.972584 2.098203 -0.363530
H 4.797818 0.490420 1.413189
H 4.395873 -0.881713 0.359896
H -3.094523 4.589273 -0.295641
H -3.778099 3.408715 -1.427622
H 6.439318 1.340353 -0.325487
H 6.041520 -0.038502 -1.371684
H 7.267466 -0.253702 1.462786
H 6.868068 -1.633769 0.418854
H 8.910338 0.586267 -0.279561
H 8.513243 -0.797785 -1.319111
H -5.561049 2.788094 0.284506
H -4.856557 3.956880 1.436418
H -5.597518 4.534893 -0.082276
H -3.440950 1.138928 -2.017304
H -3.300866 0.793278 2.312984
H 9.337083 -2.382277 0.479005
H 9.736788 -0.998107 1.515123
H -4.455777 -1.157443 -2.170171
H -4.317914 -1.512385 2.161060
H 11.413309 -0.177184 -0.220123
H 11.803110 -1.836412 0.318236
H 11.010845 -1.570511 -1.261718
H -3.821344 -5.026551 -0.415551


