%chk=000230858.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230858

0 1
S -4.805228 1.639967 -0.862810
S 1.757857 -2.548370 -0.914991
O 0.114779 -2.702053 -0.970367
O -4.762859 -0.793095 -0.585599
O -4.736566 0.338680 0.289720
O 1.728892 -1.031194 -0.124308
O -6.169755 2.154137 -0.940753
O 2.352244 -3.449208 0.062446
C -2.134257 -2.512791 -0.314040
C -3.090014 -1.991248 0.760340
C -0.701378 -2.584278 0.215402
C -4.537998 -1.932282 0.274708
C -3.910933 2.679516 0.360739
C -2.472734 2.627231 -0.018363
C 3.982832 -0.630665 0.644477
C 2.545663 -0.851933 1.040030
C -1.825385 3.774611 -0.504317
C -1.756649 1.423072 0.098923
C 4.884337 -1.705121 0.647182
C 4.422418 0.648075 0.274846
C -0.477669 3.714783 -0.869944
C -0.413515 1.369091 -0.276381
C 0.229300 2.513887 -0.759838
C 6.219574 -1.496969 0.292839
C 5.759057 0.851560 -0.080600
C 6.658831 -0.219028 -0.069382
H -2.163347 -1.849429 -1.206250
H -2.449960 -3.508182 -0.681317
H -3.024790 -2.612216 1.673601
H -2.787847 -0.956348 1.059452
H -0.521311 -3.476407 0.840814
H -0.406444 -1.668797 0.761271
H -4.814452 -2.755971 -0.412600
H -5.251114 -1.891864 1.117728
H -4.330715 3.702202 0.360938
H -4.075108 2.304554 1.391700
H 2.094677 0.044080 1.514424
H 2.427672 -1.719899 1.720254
H -2.368935 4.712582 -0.595981
H -2.257383 0.522071 0.476423
H 4.536465 -2.706657 0.916802
H 3.722131 1.481826 0.260132
H 0.020580 4.607790 -1.244422
H 0.142162 0.427554 -0.201622
H 1.276053 2.464957 -1.052773
H 6.918282 -2.332115 0.298635
H 6.099325 1.845375 -0.366004
H 7.700013 -0.058381 -0.343161


%chk=000230858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230858

0 1
S -5.122345 1.658984 0.530798
S 2.452618 -3.701677 -0.959159
O 0.778421 -2.976863 -1.294558
O -3.918928 -0.623372 -0.835251
O -3.519430 0.651960 -0.218614
O 3.477646 -2.162934 -0.657490
O -5.385111 1.149962 2.067479
O 2.351443 -4.420554 0.493198
C -1.447371 -2.422857 -0.547300
C -2.349513 -1.954997 0.618597
C 0.011626 -2.563429 -0.093853
C -3.800069 -1.711610 0.188132
C -3.846801 3.158870 0.737583
C -3.861988 4.068097 -0.451406
C 5.216623 -2.158439 1.103477
C 3.768080 -1.867774 0.782825
C -4.579271 5.294111 -0.414078
C -3.162816 3.712855 -1.636960
C 5.609980 -3.457526 1.518173
C 6.199061 -1.143457 0.984293
C -4.587849 6.153474 -1.534361
C -3.174807 4.571490 -2.756579
C -3.884679 5.794753 -2.708162
C 6.964088 -3.735057 1.806304
C 7.554372 -1.419476 1.273407
C 7.939342 -2.716497 1.685251
H -1.506162 -1.694327 -1.375756
H -1.799359 -3.396593 -0.938186
H -2.355689 -2.713317 1.427841
H -1.957419 -1.017134 1.057118
H 0.115524 -3.328794 0.701811
H 0.407162 -1.595273 0.274136
H -4.222450 -2.575584 -0.359716
H -4.449862 -1.459569 1.045345
H -4.181783 3.617078 1.681413
H -2.897563 2.616694 0.881175
H 3.520784 -0.796518 0.889870
H 3.093489 -2.474936 1.419759
H -5.122700 5.577775 0.495730
H -2.626291 2.757910 -1.675673
H 4.850999 -4.244138 1.608000
H 5.901782 -0.138298 0.660846
H -5.138260 7.099794 -1.492323
H -2.632468 4.288810 -3.665462
H -3.890886 6.461652 -3.577402
H 7.259374 -4.740268 2.127375
H 8.306364 -0.628103 1.179389
H 8.989889 -2.931802 1.910964


