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	hartrees
Energy at 0K	-701.108298
Energy at 298.15K	-701.116385
Nuclear repulsion energy	355.623153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3078	3028	1.38
2	A	3076	3027	10.12
3	A	3040	2991	12.03
4	A	3039	2990	7.30
5	A	2957	2909	54.43
6	A	2955	2908	9.98
7	A	1437	1414	0.31
8	A	1429	1406	13.29
9	A	1421	1398	20.64
10	A	1409	1386	0.41
11	A	1383	1361	10.87
12	A	1369	1347	3.18
13	A	1205	1186	102.89
14	A	1141	1122	0.62
15	A	1136	1118	0.29
16	A	1127	1109	0.04
17	A	1125	1107	1.44
18	A	1055	1038	138.07
19	A	1031	1014	92.61
20	A	699	688	76.02
21	A	682	672	221.01
22	A	606	596	8.97
23	A	475	467	0.40
24	A	357	351	6.51
25	A	308	303	13.65
26	A	305	300	14.08
27	A	201	198	0.04
28	A	139	136	0.12
29	A	126	124	2.08
30	A	29	28	0.26

Atom	x (Å)	y (Å)	z (Å)
S1	-0.002	-0.871	-0.295
O2	0.003	-0.983	1.162
O3	1.256	0.092	-0.690
O4	-1.265	0.088	-0.683
C5	1.663	1.046	0.273
C6	-1.656	1.053	0.276
H7	1.178	2.021	0.084
H8	-2.747	1.172	0.196
H9	1.404	0.690	1.287
H10	2.755	1.157	0.185
H11	-1.390	0.704	1.290
H12	-1.164	2.022	0.073

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4619	1.6330	1.6325	2.6023	2.6008	3.1461	3.4568	2.6300	3.4556	2.6310	3.1399
O2	1.4619		2.4815	2.4817	2.7685	2.7721	3.4009	3.6250	2.1858	3.6203	2.1919	3.4032
O3	1.6330	2.4815		2.5210	1.4155	3.2146	2.0795	4.2395	2.0706	2.0356	3.3612	3.1882
O4	1.6325	2.4817	2.5210		3.2258	1.4155	3.2077	2.0354	3.3711	4.2488	2.0708	2.0795
C5	2.6023	2.7685	1.4155	3.2258		3.3187	1.1052	4.4125	1.1052	1.1007	3.2363	2.9976
C6	2.6008	2.7721	3.2146	1.4155	3.3187		2.9998	1.1007	3.2425	4.4124	1.1052	1.1052
H7	3.1461	3.4009	2.0795	3.2077	1.1052	2.9998		4.0167	1.8080	1.8013	3.1275	2.3415
H8	3.4568	3.6250	4.2395	2.0354	4.4125	1.1007	4.0167		4.3186	5.5017	1.8048	1.8011
H9	2.6300	2.1858	2.0706	3.3711	1.1052	3.2425	1.8080	4.3186		1.8050	2.7939	3.1371
H10	3.4556	3.6203	2.0356	4.2488	1.1007	4.4124	1.8013	5.5017	1.8050		4.3136	4.0148
H11	2.6310	2.1919	3.3612	2.0708	3.2363	1.1052	3.1275	1.8048	2.7939	4.3136		1.8083
H12	3.1399	3.4032	3.1882	2.0795	2.9976	1.1052	2.3415	1.8011	3.1371	4.0148	1.8083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	117.043	S1	O4	C6	116.968
O2	S1	O3	106.477	O2	S1	O4	106.518
O3	S1	O4	101.069	O3	C5	H7	110.566
O3	C5	H9	109.850	O3	C5	H10	107.339
O4	C6	H8	107.323	O4	C6	H11	109.858
O4	C6	H12	110.567	H7	C5	H9	109.754
H7	C5	H10	109.480	H8	C6	H11	109.807
H8	C6	H12	109.471	H9	C5	H10	109.816
H11	C6	H12	109.780

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.291
2	O	-0.254
3	O	-0.130
4	O	-0.129
5	C	-0.402
6	C	-0.402
7	H	0.155
8	H	0.176
9	H	0.182
10	H	0.176
11	H	0.182
12	H	0.155

	x	y	z	Total
	0.006	2.222	0.308	2.243
CHELPG
AIM
ESP

	x	y	z
x	8.880	0.000	-0.001
y	0.000	7.803	0.042
z	-0.001	0.042	6.416

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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