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	hartrees
Energy at 0K	-702.414321
Energy at 298.15K	-702.422188
HF Energy	-701.356610
Nuclear repulsion energy	344.396615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3229	3061	4.61
2	A	3229	3061	9.96
3	A	3176	3010	36.08
4	A	3176	3010	1.75
5	A	3082	2921	13.70
6	A	3081	2921	67.24
7	A	1535	1455	7.45
8	A	1532	1453	19.28
9	A	1513	1434	8.46
10	A	1511	1433	2.69
11	A	1506	1428	4.47
12	A	1503	1425	0.96
13	A	1233	1169	152.22
14	A	1222	1159	14.63
15	A	1214	1150	13.81
16	A	1205	1142	3.43
17	A	1202	1139	0.32
18	A	1073	1017	0.66
19	A	1029	975	342.99
20	A	757	717	132.73
21	A	686	650	221.97
22	A	503	477	27.21
23	A	431	408	0.33
24	A	391	370	0.18
25	A	281	266	7.31
26	A	189	179	3.37
27	A	164	156	0.60
28	A	161	153	0.38
29	A	69	66	11.55
30	A	59	56	3.10

Atom	x (Å)	y (Å)	z (Å)
S1	0.011	0.018	-0.102
O2	0.016	1.649	0.022
O3	1.463	-0.921	0.025
O4	-1.503	-0.914	0.019
C5	2.586	-0.005	0.057
C6	-2.611	0.012	0.053
H7	3.430	-0.663	0.133
H8	-3.405	-0.640	0.121
H9	2.610	0.565	-0.852
H10	2.505	0.637	0.915
H11	-2.433	0.659	0.894
H12	-2.541	0.599	-0.766

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6363	1.7333	1.7820	2.5803	2.6270	3.4939	3.4864	2.7602	2.7640	2.7160	2.7005
O2	1.6363		2.9497	2.9797	3.0574	3.0955	4.1252	4.1175	2.9450	2.8323	2.7813	2.8743
O3	1.7333	2.9497		2.9652	1.4501	4.1795	1.9872	4.8771	2.0730	2.0751	4.2924	4.3551
O4	1.7820	2.9797	2.9652		4.1891	1.4453	4.9403	1.9252	4.4573	4.3900	2.0264	1.9968
C5	2.5803	3.0574	1.4501	4.1891		5.1977	1.0724	6.0257	1.0741	1.0746	5.1315	5.2283
C6	2.6270	3.0955	4.1795	1.4453	5.1977		6.0794	1.0298	5.3284	5.2262	1.0766	1.0100
H7	3.4939	4.1252	1.9872	4.9403	1.0724	6.0794		6.8355	1.7752	1.7766	6.0578	6.1689
H8	3.4864	4.1175	4.8771	1.9252	6.0257	1.0298	6.8355		6.2121	6.0989	1.7977	1.7520
H9	2.7602	2.9450	2.0730	4.4573	1.0741	5.3284	1.7752	6.2121		1.7724	5.3379	5.1524
H10	2.7640	2.8323	2.0751	4.3900	1.0746	5.2262	1.7766	6.0989	1.7724		4.9379	5.3193
H11	2.7160	2.7813	4.2924	2.0264	5.1315	1.0766	6.0578	1.7977	5.3379	4.9379		1.6654
H12	2.7005	2.8743	4.3551	1.9968	5.2283	1.0100	6.1689	1.7520	5.1524	5.3193	1.6654

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	107.966	S1	O4	C6	108.525
O2	S1	O3	122.153	O2	S1	O4	121.251
O3	S1	O4	115.019	O3	C5	H7	102.928
O3	C5	H9	109.512	O3	C5	H10	109.660
O4	C6	H8	100.784	O4	C6	H11	106.010
O4	C6	H12	107.501	H7	C5	H9	111.584
H7	C5	H10	111.685	H8	C6	H11	117.159
H8	C6	H12	118.383	H9	C5	H10	111.149
H11	C6	H12	105.866

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

using model chemistry: MP2/TZVP

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

using model chemistry: MP2/TZVP

States and conformations

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