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	hartrees
Energy at 0K	-701.079336
Energy at 298.15K	-701.087290
HF Energy	-701.079336
Nuclear repulsion energy	350.604744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3091	3045	0.72
2	A	3090	3044	10.24
3	A	3045	2999	8.95
4	A	3043	2998	10.71
5	A	2961	2917	58.75
6	A	2960	2916	10.09
7	A	1440	1419	0.29
8	A	1433	1412	21.18
9	A	1427	1405	28.68
10	A	1416	1395	0.98
11	A	1390	1370	9.55
12	A	1381	1361	3.86
13	A	1169	1152	132.49
14	A	1138	1121	0.82
15	A	1137	1120	0.23
16	A	1121	1104	0.42
17	A	1116	1099	2.19
18	A	1047	1032	142.21
19	A	1026	1011	84.30
20	A	662	652	86.45
21	A	638	629	260.13
22	A	586	577	16.38
23	A	463	456	0.25
24	A	333	328	9.36
25	A	288	284	16.26
26	A	283	278	15.19
27	A	197	195	0.09
28	A	145	143	0.09
29	A	116	115	2.80
30	A	44	43	0.60

Atom	x (Å)	y (Å)	z (Å)
S1	-0.011	0.045	-0.060
O2	-0.012	1.650	0.011
O3	-1.475	-0.910	-0.000
O4	1.503	-0.910	0.007
C5	-2.629	-0.037	0.045
C6	2.651	-0.025	0.047
H7	-3.481	-0.710	0.080
H8	3.477	-0.691	0.083
H9	-2.589	0.586	0.938
H10	-2.656	0.583	-0.851
H11	2.617	0.609	-0.842
H12	2.552	0.627	0.869

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6059	1.7486	1.7917	2.6208	2.6654	3.5533	3.5681	2.8162	2.8127	2.7990	2.7876
O2	1.6059		2.9478	2.9748	3.1128	3.1464	4.1953	4.2025	2.9375	2.9781	2.9533	2.8911
O3	1.7486	2.9478		2.9775	1.4478	4.2199	2.0174	4.9573	2.0872	2.0857	4.4446	4.3965
O4	1.7917	2.9748	2.9775		4.2230	1.4506	4.9879	1.9879	4.4547	4.5017	2.0661	2.0509
C5	2.6208	3.1128	1.4478	4.2230		5.2797	1.0864	6.1408	1.0891	1.0896	5.3587	5.2875
C6	2.6654	3.1464	4.2199	1.4506	5.2797		6.1699	1.0618	5.3499	5.4171	1.0923	1.0534
H7	3.5533	4.1953	2.0174	4.9879	1.0864	6.1699		6.9577	1.7915	1.7939	6.3059	6.2289
H8	3.5681	4.2025	4.9573	1.9879	6.1408	1.0618	6.9577		6.2573	6.3337	1.8127	1.7915
H9	2.8162	2.9375	2.0872	4.4547	1.0891	5.3499	1.7915	6.2573		1.7897	5.5012	5.1412
H10	2.8127	2.9781	2.0857	4.5017	1.0896	5.4171	1.7939	6.3337	1.7897		5.2731	5.4849
H11	2.7990	2.9533	4.4446	2.0661	5.3587	1.0923	6.3059	1.8127	5.5012	5.2731		1.7120
H12	2.7876	2.8911	4.3965	2.0509	5.2875	1.0534	6.2289	1.7915	5.1412	5.4849	1.7120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	109.795	S1	O4	C6	110.146
O2	S1	O3	122.928	O2	S1	O4	122.127
O3	S1	O4	114.496	O3	C5	H7	104.608
O3	C5	H9	109.915	O3	C5	H10	109.766
O4	C6	H8	103.520	O4	C6	H11	107.855
O4	C6	H12	108.949	H7	C5	H9	110.872
H7	C5	H10	111.060	H8	C6	H11	114.598
H8	C6	H12	115.773	H9	C5	H10	110.468
H11	C6	H12	105.842

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

using model chemistry: SVWN/6-31+G**

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	1.029
2	O	-0.628
3	O	-0.396
4	O	-0.395
5	C	-0.407
6	C	-0.407
7	H	0.201
8	H	0.201
9	H	0.180
10	H	0.221
11	H	0.221
12	H	0.180

	x	y	z	Total
	0.002	2.239	0.474	2.288
CHELPG
AIM
ESP

	x	y	z
x	9.797	0.002	0.001
y	0.002	8.495	-0.150
z	0.001	-0.150	7.519

<r²>	180.911
(<r²>)^1/2	13.450

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

using model chemistry: SVWN/6-31+G**

States and conformations

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