%chk=000209198.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209198

0 1
S 1.042906 2.025823 -0.121176
O -1.336950 3.120329 0.105623
O -1.083764 -1.178104 1.988665
O 0.929592 -2.768579 0.127744
O 2.166611 -2.237375 1.923510
C -2.716667 0.992018 1.316635
C -1.253038 0.937954 0.963180
C -3.553062 0.404140 0.207773
C 1.604005 0.396045 0.196210
C -0.556632 -0.320030 1.310527
C 0.842460 -0.522611 0.808500
C -0.649654 1.982013 0.361228
C 2.987774 0.246446 -0.273127
C -4.157334 1.240049 -0.741887
C -3.726270 -0.986036 0.125060
C 3.303953 0.468257 -1.624067
C 3.997110 -0.111211 0.637963
C 1.393126 -1.884525 1.066515
C -4.939473 0.687494 -1.760380
C -4.507497 -1.532033 -0.895385
C -5.117570 -0.697065 -1.838245
C 4.626974 0.342166 -2.054377
C 5.316852 -0.229826 0.198143
C 5.633324 -0.001422 -1.145343
H -3.020972 2.039811 1.529617
H -2.889366 0.430762 2.265759
H -4.013618 2.317342 -0.688158
H -3.240938 -1.635667 0.857368
H 2.522292 0.722528 -2.341190
H 3.745170 -0.310878 1.684436
H -5.410681 1.338080 -2.494370
H -4.640840 -2.610765 -0.956846
H -5.727790 -1.124797 -2.630146
H 4.873816 0.509735 -3.102443
H 6.099407 -0.507170 0.904900
H 6.664730 -0.096050 -1.485174
H -0.806391 3.812215 -0.372649
H 1.238907 -3.701964 0.299310


%chk=000209198-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209198

0 1
S 1.022040 2.025944 -0.381586
O -1.471228 3.050978 -0.091147
O -1.049337 -1.296364 1.881556
O 1.150613 -2.816369 0.250449
O 2.143173 -2.099593 2.224939
C -2.722277 0.923278 1.307726
C -1.255912 0.874347 0.883011
C -3.661033 0.392361 0.220366
C 1.692899 0.399501 0.114510
C -0.497863 -0.342838 1.224858
C 0.920387 -0.502982 0.801041
C -0.701753 1.925763 0.196305
C 3.111388 0.240639 -0.302644
C -4.362759 1.285750 -0.628592
C -3.836630 -1.004998 0.041098
C 3.503766 0.536289 -1.638063
C 4.098157 -0.178476 0.633244
C 1.482253 -1.850285 1.195687
C -5.222145 0.795469 -1.638500
C -4.694713 -1.495241 -0.968610
C -5.390169 -0.597741 -1.812746
C 4.850529 0.400542 -2.033470
C 5.444369 -0.307950 0.230735
C 5.825958 -0.021791 -1.100311
H -2.994115 1.961406 1.562661
H -2.810833 0.297063 2.212570
H -4.230025 2.365970 -0.496123
H -3.294993 -1.696942 0.696084
H 2.748647 0.845383 -2.369638
H 3.813512 -0.388636 1.668383
H -5.762582 1.497684 -2.284104
H -4.823294 -2.576514 -1.094611
H -6.058021 -0.979374 -2.593611
H 5.137132 0.618354 -3.067896
H 6.195229 -0.627322 0.961236
H 6.872567 -0.123920 -1.407252
H -0.986300 3.737617 -0.615222
H 1.453864 -3.709903 0.571370


