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	hartrees
Energy at 0K	-700.981088
Energy at 298.15K	-700.988849
Nuclear repulsion energy	336.278760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3364	3037	2.16
2	A	3363	3037	3.58
3	A	3343	3018	19.59
4	A	3339	3015	22.84
5	A	3244	2929	46.53
6	A	3240	2926	8.49
7	A	1666	1504	2.66
8	A	1660	1498	20.06
9	A	1651	1491	15.05
10	A	1643	1484	9.49
11	A	1606	1450	9.58
12	A	1598	1443	3.92
13	A	1287	1162	0.43
14	A	1287	1162	1.09
15	A	1261	1139	0.38
16	A	1261	1139	3.95
17	A	1079	974	245.52
18	A	1046	945	229.45
19	A	841	759	25.81
20	A	734	663	83.94
21	A	713	643	40.34
22	A	549	496	32.45
23	A	443	400	3.66
24	A	331	299	29.90
25	A	262	237	28.28
26	A	254	229	19.40
27	A	144	130	3.39
28	A	102	92	0.24
29	A	90	81	6.22
30	A	53	48	5.91

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	-0.875	-0.383
O2	-0.000	-1.073	1.231
O3	1.319	0.172	-0.698
O4	-1.319	0.172	-0.698
C5	1.869	1.034	0.340
C6	-1.869	1.034	0.340
H7	2.878	1.224	0.019
H8	-2.878	1.224	0.019
H9	1.306	1.954	0.378
H10	1.853	0.535	1.294
H11	-1.853	0.535	1.294
H12	-1.306	1.954	0.378

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6264	1.7134	1.7134	2.7680	2.7681	3.5851	3.5851	3.2077	2.8695	2.8695	3.2077
O2	1.6264		2.6482	2.6482	2.9545	2.9544	3.8769	3.8769	3.4054	2.4541	2.4540	3.4053
O3	1.7134	2.6482		2.6374	1.4571	3.4615	2.0132	4.3859	2.0813	2.0941	3.7628	3.3502
O4	1.7134	2.6482	2.6374		3.4614	1.4571	4.3859	2.0132	3.3501	3.7627	2.0941	2.0814
C5	2.7680	2.9545	1.4571	3.4614		3.7378	1.0761	4.7620	1.0785	1.0770	3.8744	3.3060
C6	2.7681	2.9544	3.4615	1.4571	3.7378		4.7620	1.0761	3.3060	3.8743	1.0770	1.0785
H7	3.5851	3.8769	2.0132	4.3859	1.0761	4.7620		5.7570	1.7701	1.7753	4.9482	4.2633
H8	3.5851	3.8769	4.3859	2.0132	4.7620	1.0761	5.7570		4.2633	4.9481	1.7753	1.7701
H9	3.2077	3.4054	2.0813	3.3501	1.0785	3.3060	1.7701	4.2633		1.7748	3.5823	2.6129
H10	2.8695	2.4541	2.0941	3.7627	1.0770	3.8743	1.7753	4.9481	1.7748		3.7055	3.5821
H11	2.8695	2.4540	3.7628	2.0941	3.8744	1.0770	4.9482	1.7753	3.5823	3.7055		1.7748
H12	3.2077	3.4053	3.3502	2.0814	3.3060	1.0785	4.2633	1.7701	2.6129	3.5821	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	121.420	S1	O4	C6	121.420
O2	S1	O3	104.887	O2	S1	O4	104.886
O3	S1	O4	100.642	O3	C5	H7	104.244
O3	C5	H9	109.433	O3	C5	H10	110.556
O4	C6	H8	104.244	O4	C6	H11	110.556
O4	C6	H12	109.433	H7	C5	H9	110.482
H7	C5	H10	111.081	H8	C6	H11	111.083
H8	C6	H12	110.481	H9	C5	H10	110.850
H11	C6	H12	110.849

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

using model chemistry: HF/6-31G

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	CHELPG
1	S	1.530	0.801
2	O	-0.816	-0.543
3	O	-0.801	-0.559
4	O	-0.801	-0.559
5	C	-0.152	0.524
6	C	-0.152	0.524
7	H	0.205	-0.037
8	H	0.205	-0.037
9	H	0.171	-0.033
10	H	0.219	-0.024
11	H	0.219	-0.024
12	H	0.171	-0.033

	x	y	z	Total
	-0.000	2.627	0.443	2.664
CHELPG	-0.000	2.530	0.348	2.554
AIM
ESP

	x	y	z
x	8.327	0.000	0.000
y	0.000	6.402	-0.423
z	0.000	-0.423	5.950

<r²>	196.630
(<r²>)^1/2	14.022

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

using model chemistry: HF/6-31G

States and conformations

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