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	hartrees
Energy at 0K	-701.425302
Energy at 298.15K	-701.433715
Nuclear repulsion energy	357.776543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3302	3000	12.84
2	A	3293	2992	18.06
3	A	3290	2989	16.48
4	A	3255	2957	26.49
5	A	3209	2916	38.10
6	A	3176	2885	48.69
7	A	1631	1482	13.61
8	A	1630	1481	8.17
9	A	1617	1470	6.74
10	A	1615	1468	7.50
11	A	1605	1459	0.95
12	A	1597	1451	0.12
13	A	1352	1229	216.07
14	A	1315	1195	23.18
15	A	1307	1188	6.52
16	A	1288	1170	3.67
17	A	1283	1166	1.59
18	A	1162	1056	146.55
19	A	1129	1026	528.23
20	A	857	779	66.62
21	A	829	753	230.63
22	A	661	601	18.09
23	A	529	481	5.07
24	A	454	413	14.99
25	A	312	283	5.89
26	A	246	224	8.51
27	A	161	146	6.54
28	A	137	124	2.78
29	A	94	85	4.80
30	A	74	67	2.75

Atom	x (Å)	y (Å)	z (Å)
S1	-0.037	0.557	-0.465
O2	-0.025	1.338	0.722
O3	-0.877	-0.750	-0.128
O4	1.330	-0.168	-0.611
C5	-2.235	-0.561	0.219
C6	1.979	-0.765	0.508
H7	-2.670	-1.545	0.289
H8	2.962	-1.035	0.161
H9	-2.315	-0.050	1.167
H10	-2.752	0.005	-0.547
H11	2.048	-0.057	1.318
H12	1.439	-1.644	0.822

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4207	1.5895	1.5542	2.5593	2.5997	3.4520	3.4530	2.8671	2.7719	2.8118	2.9463
O2	1.4207		2.4097	2.4251	2.9572	2.9129	3.9361	3.8563	2.7148	3.2900	2.5694	3.3241
O3	1.5895	2.4097		2.3326	1.4149	2.9254	2.0052	3.8602	2.0578	2.0649	3.3355	2.6576
O4	1.5542	2.4251	2.3326		3.6817	1.4251	4.3247	2.0035	4.0573	4.0862	2.0622	2.0607
C5	2.5593	2.9572	1.4149	3.6817		4.2290	1.0776	5.2194	1.0796	1.0838	4.4509	3.8776
C6	2.5997	2.9129	2.9254	1.4251	4.2290		4.7186	1.0772	4.4026	4.9081	1.0782	1.0788
H7	3.4520	3.9361	2.0052	4.3247	1.0776	4.7186		5.6563	1.7693	1.7629	5.0528	4.1440
H8	3.4530	3.8563	3.8602	2.0035	5.2194	1.0772	5.6563		5.4618	5.8514	1.7695	1.7687
H9	2.8671	2.7148	2.0578	4.0573	1.0796	4.4026	1.7693	5.4618		1.7695	4.3659	4.0930
H10	2.7719	3.2900	2.0649	4.0862	1.0838	4.9081	1.7629	5.8514	1.7695		5.1505	4.7074
H11	2.8118	2.5694	3.3355	2.0622	4.4509	1.0782	5.0528	1.7695	4.3659	5.1505		1.7714
H12	2.9463	3.3241	2.6576	2.0607	3.8776	1.0788	4.1440	1.7687	4.0930	4.7074	1.7714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	116.708	S1	O4	C6	121.460
O2	S1	O3	106.223	O2	S1	O4	109.131
O3	S1	O4	95.799	O3	C5	H7	106.327
O3	C5	H9	110.438	O3	C5	H10	110.763
O4	C6	H8	105.545	O4	C6	H11	110.162
O4	C6	H12	110.004	H7	C5	H9	110.199
H7	C5	H10	109.299	H8	C6	H11	110.366
H8	C6	H12	110.246	H9	C5	H10	109.759
H11	C6	H12	110.414

All results from a given calculation for C₂H₆O₃S (Sulfurous acid, dimethyl ester)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	0.727
2	O	-0.594
3	O	-0.657
4	O	-0.639
5	C	0.177
6	C	0.178
7	H	0.123
8	H	0.123
9	H	0.147
10	H	0.126
11	H	0.151
12	H	0.137

	x	y	z	Total
	-0.699	-2.228	0.069	2.336
CHELPG
AIM
ESP

	x	y	z
x	9.011	-0.043	0.055
y	-0.043	7.298	0.012
z	0.055	0.012	6.736

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H6O3S (Sulfurous acid, dimethyl ester)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₆O₃S (Sulfurous acid, dimethyl ester)