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	hartrees
Energy at 0K	-702.540026
Energy at 298.15K	-702.547980
HF Energy	-701.315241
Nuclear repulsion energy	346.384449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3231	3060	7.19
2	A	3231	3060	8.77
3	A	3178	3010	26.11
4	A	3177	3009	14.95
5	A	3080	2917	14.32
6	A	3079	2916	70.23
7	A	1551	1469	12.68
8	A	1550	1468	16.29
9	A	1534	1453	15.75
10	A	1534	1453	4.15
11	A	1514	1434	0.15
12	A	1510	1431	0.55
13	A	1261	1194	149.36
14	A	1221	1156	2.72
15	A	1214	1149	13.62
16	A	1207	1143	1.54
17	A	1203	1140	0.04
18	A	1087	1030	0.35
19	A	1043	988	350.31
20	A	757	717	133.54
21	A	689	653	235.13
22	A	523	495	30.96
23	A	445	421	1.50
24	A	398	377	0.14
25	A	282	267	9.25
26	A	200	190	3.08
27	A	182	172	0.39
28	A	175	166	1.85
29	A	63	60	12.00
30	A	61	58	3.14

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	0.223	0.453
O2	0.001	1.461	-0.323
O3	1.159	-0.792	-0.142
O4	-1.159	-0.792	-0.143
C5	2.461	-0.187	-0.131
C6	-2.461	-0.187	-0.131
H7	3.141	-0.972	-0.450
H8	-3.141	-0.972	-0.451
H9	2.501	0.651	-0.827
H10	2.739	0.150	0.872
H11	-2.738	0.148	0.873
H12	-2.502	0.652	-0.826

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4614	1.6520	1.6520	2.5626	2.5624	3.4804	3.4802	2.8425	2.7715	2.7712	2.8423
O2	1.4614		2.5402	2.5401	2.9676	2.9687	3.9748	3.9756	2.6763	3.2625	3.2644	2.6776
O3	1.6520	2.5402		2.3182	1.4356	3.6704	2.0140	4.3152	2.0867	2.1000	4.1357	3.9947
O4	1.6520	2.5401	2.3182		3.6701	1.4356	4.3149	2.0140	3.9934	4.1363	2.1000	2.0866
C5	2.5626	2.9676	1.4356	3.6701		4.9220	1.0865	5.6658	1.0901	1.0942	5.3060	5.0810
C6	2.5624	2.9687	3.6704	1.4356	4.9220		5.6659	1.0865	5.0805	5.3063	1.0942	1.0901
H7	3.4804	3.9748	2.0140	4.3149	1.0865	5.6659		6.2824	1.7849	1.7802	6.1298	5.8842
H8	3.4802	3.9756	4.3152	2.0140	5.6658	1.0865	6.2824		5.8832	6.1303	1.7801	1.7848
H9	2.8425	2.6763	2.0867	3.9934	1.0901	5.0805	1.7849	5.8832		1.7873	5.5313	5.0032
H10	2.7715	3.2625	2.1000	4.1363	1.0942	5.3063	1.7802	6.1303	1.7873		5.4770	5.5315
H11	2.7712	3.2644	4.1357	2.1000	5.3060	1.0942	6.1298	1.7801	5.5313	5.4770		1.7873
H12	2.8423	2.6776	3.9947	2.0866	5.0810	1.0901	5.8842	1.7848	5.0032	5.5315	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	112.000	S1	O4	C6	111.990
O2	S1	O3	109.197	O2	S1	O4	109.198
O3	S1	O4	89.114	O3	C5	H7	105.136
O3	C5	H9	110.669	O3	C5	H10	111.509
O4	C6	H8	105.138	O4	C6	H11	111.505
O4	C6	H12	110.668	H7	C5	H9	110.179
H7	C5	H10	109.440	H8	C6	H11	109.436
H8	C6	H12	110.173	H9	C5	H10	109.814
H11	C6	H12	109.825

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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