%chk=000182643.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182643

0 1
S -3.809612 -0.133500 0.067629
O -2.259048 0.428100 0.345405
O -4.309270 1.354841 -0.480589
O -3.769280 -1.064428 -1.010405
O -4.450025 -0.416418 1.302427
C 2.614014 0.472331 0.081557
C 1.368231 -0.423827 0.063727
C 3.899638 -0.356245 -0.041005
C 0.087102 0.408167 0.187033
C 5.147334 0.538225 -0.023127
C -1.149076 -0.488633 0.166858
C 6.430072 -0.280899 -0.145547
H 2.637686 1.067299 1.015360
H 2.561349 1.208841 -0.743747
H 1.425403 -1.159603 0.890049
H 1.347992 -1.017721 -0.871404
H 3.956135 -1.092993 0.783419
H 3.879780 -0.951501 -0.974258
H 0.022911 1.151546 -0.632491
H 0.095259 1.004872 1.122403
H 5.094815 1.275018 -0.848595
H 5.171724 1.132462 0.911405
H -1.165951 -1.202170 1.010749
H -1.271217 -1.022280 -0.795227
H 6.533742 -0.995940 0.678576
H 7.315171 0.365218 -0.131295
H 6.457400 -0.852638 -1.080199
H -3.627678 2.058476 -0.458307


%chk=000182643-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182643

0 1
S -3.982704 -0.203200 0.084960
O -2.288953 0.550756 0.267901
O -4.698968 1.438266 -0.224638
O -4.009262 -1.125004 -1.230104
O -4.588660 -0.743211 1.462107
C 2.672123 0.486884 0.055555
C 1.390492 -0.377483 0.049900
C 3.966341 -0.353939 -0.027690
C 0.104187 0.481251 0.150266
C 5.250350 0.507375 -0.025397
C -1.152623 -0.400815 0.129679
C 6.539929 -0.337888 -0.104830
H 2.694925 1.104467 0.977231
H 2.640743 1.196993 -0.796608
H 1.427386 -1.092185 0.897316
H 1.362618 -0.986201 -0.877011
H 4.000856 -1.062698 0.825903
H 3.944961 -0.975004 -0.947488
H 0.061830 1.196866 -0.692392
H 0.118245 1.071133 1.085770
H 5.216595 1.214073 -0.879544
H 5.269801 1.129558 0.892598
H -1.157086 -1.107236 0.981172
H -1.242418 -0.954182 -0.824429
H 6.613673 -1.030654 0.754642
H 7.442724 0.299978 -0.102702
H 6.558686 -0.946923 -1.028327
H -3.921190 2.025624 -0.463439


