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	hartrees
Energy at 0K	-71.414694
Energy at 298.15K	-71.422933
Nuclear repulsion energy	147.736834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3343	3020	35.33
2	A	3342	3020	9.63
3	A	3302	2983	67.71
4	A	3302	2983	8.39
5	A	3209	2899	26.40
6	A	3207	2897	94.32
7	A	1642	1483	7.77
8	A	1641	1482	14.38
9	A	1628	1471	9.28
10	A	1628	1471	1.28
11	A	1610	1454	0.82
12	A	1604	1449	12.51
13	A	1318	1191	38.55
14	A	1307	1181	21.25
15	A	1293	1168	212.44
16	A	1285	1161	10.55
17	A	1284	1160	0.77
18	A	1182	1068	2.17
19	A	1113	1006	624.69
20	A	877	792	146.61
21	A	820	741	178.68
22	A	577	521	40.75
23	A	493	446	0.95
24	A	426	385	0.14
25	A	307	278	12.55
26	A	197	178	5.46
27	A	166	150	0.56
28	A	165	149	0.96
29	A	81	73	3.27
30	A	69	63	13.60

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	0.229	0.487
O2	0.000	1.507	-0.206
O3	1.153	-0.696	-0.156
O4	-1.153	-0.696	-0.157
C5	2.483	-0.193	0.000
C6	-2.483	-0.193	0.001
H7	3.130	-0.956	-0.406
H8	-3.131	-0.956	-0.405
H9	2.603	0.732	-0.549
H10	2.717	-0.038	1.050
H11	-2.717	-0.038	1.051
H12	-2.604	0.732	-0.549

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4532	1.6120	1.6120	2.5649	2.5649	3.4643	3.4643	2.8462	2.7877	2.7873	2.8465
O2	1.4532		2.4864	2.4864	3.0156	3.0160	3.9879	3.9884	2.7372	3.3685	3.3686	2.7380
O3	1.6120	2.4864		2.3060	1.4304	3.6738	2.0101	4.2986	2.0726	2.0818	4.1063	4.0378
O4	1.6120	2.4864	2.3060		3.6737	1.4304	4.2986	2.0101	4.0374	4.1067	2.0818	2.0726
C5	2.5649	3.0156	1.4304	3.6737		4.9656	1.0803	5.6795	1.0823	1.0868	5.3065	5.1987
C6	2.5649	3.0160	3.6738	1.4304	4.9656		5.6795	1.0803	5.1984	5.3069	1.0868	1.0823
H7	3.4643	3.9879	2.0101	4.2986	1.0803	5.6795		6.2610	1.7745	1.7702	6.0951	5.9790
H8	3.4643	3.9884	4.2986	2.0101	5.6795	1.0803	6.2610		5.9788	6.0954	1.7702	1.7745
H9	2.8462	2.7372	2.0726	4.0374	1.0823	5.1984	1.7745	5.9788		1.7786	5.6080	5.2066
H10	2.7877	3.3685	2.0818	4.1067	1.0868	5.3069	1.7702	6.0954	1.7786		5.4334	5.6086
H11	2.7873	3.3686	4.1063	2.0818	5.3065	1.0868	6.0951	1.7702	5.6080	5.4334		1.7786
H12	2.8465	2.7380	4.0378	2.0726	5.1987	1.0823	5.9790	1.7745	5.2066	5.6086	1.7786

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	114.803	S1	O4	C6	114.798
O2	S1	O3	108.307	O2	S1	O4	108.309
O3	S1	O4	91.328	O3	C5	H7	105.527
O3	C5	H9	110.384	O3	C5	H10	110.857
O4	C6	H8	105.526	O4	C6	H11	110.857
O4	C6	H12	110.383	H7	C5	H9	110.273
H7	C5	H10	109.537	H8	C6	H11	109.537
H8	C6	H12	110.274	H9	C5	H10	110.169
H11	C6	H12	110.169

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

using model chemistry: HF/CEP-121G*

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	0.890
2	O	-0.589
3	O	-0.422
4	O	-0.422
5	C	-0.288
6	C	-0.288
7	H	0.195
8	H	0.195
9	H	0.202
10	H	0.163
11	H	0.163
12	H	0.202

	x	y	z	Total
	-0.001	-1.022	1.650	1.941
CHELPG
AIM
ESP

	x	y	z
x	8.922	0.000	0.000
y	0.000	6.631	-0.045
z	0.000	-0.045	5.707

<r²>	165.762
(<r²>)^1/2	12.875

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

using model chemistry: HF/CEP-121G*

States and conformations

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