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	hartrees
Energy at 0K	-702.684239
Energy at 298.15K	-702.692276
HF Energy	-701.437781
Nuclear repulsion energy	352.607463

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3228	3072	5.87
2	A	3214	3058	6.40
3	A	3207	3051	6.46
4	A	3171	3017	14.34
5	A	3107	2957	26.13
6	A	3077	2928	38.49
7	A	1530	1456	12.47
8	A	1528	1454	7.84
9	A	1512	1438	10.80
10	A	1511	1438	4.53
11	A	1482	1410	0.35
12	A	1474	1403	0.39
13	A	1257	1196	147.33
14	A	1205	1147	9.27
15	A	1200	1142	1.86
16	A	1189	1131	1.82
17	A	1186	1129	0.92
18	A	1055	1004	108.00
19	A	1027	977	285.47
20	A	769	732	96.37
21	A	711	676	230.40
22	A	584	556	14.06
23	A	468	446	2.48
24	A	402	383	7.39
25	A	295	281	5.41
26	A	230	219	7.13
27	A	154	147	4.99
28	A	132	126	2.13
29	A	92	88	4.33
30	A	69	65	2.31

Atom	x (Å)	y (Å)	z (Å)
S1	-0.020	0.590	-0.484
O2	-0.077	1.336	0.767
O3	-0.879	-0.812	-0.230
O4	1.409	-0.156	-0.629
C5	-2.211	-0.557	0.241
C6	1.910	-0.784	0.571
H7	-2.664	-1.532	0.382
H8	2.952	-0.998	0.364
H9	-2.188	-0.015	1.183
H10	-2.786	0.007	-0.494
H11	1.824	-0.103	1.413
H12	1.361	-1.699	0.764

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4580	1.6648	1.6184	2.5779	2.5933	3.4998	3.4742	2.8016	2.8275	2.7351	2.9505
O2	1.4580		2.5003	2.5269	2.9003	2.9122	3.8811	3.8447	2.5401	3.2703	2.4703	3.3581
O3	1.6648	2.5003		2.4142	1.4355	2.9023	2.0192	3.8815	2.0842	2.0917	3.2421	2.6063
O4	1.6184	2.5269	2.4142		3.7450	1.4441	4.4167	2.0187	4.0303	4.2006	2.0850	2.0799
C5	2.5779	2.9003	1.4355	3.7450		4.1406	1.0844	5.1832	1.0869	1.0901	4.2263	3.7862
C6	2.5933	2.9122	2.9023	1.4441	4.1406		4.6387	1.0832	4.2141	4.8798	1.0865	1.0849
H7	3.4998	3.8811	2.0192	4.4167	1.0844	4.6387		5.6412	1.7801	1.7748	4.8214	4.0461
H8	3.4742	3.8447	3.8815	2.0187	5.1832	1.0832	5.6412		5.2963	5.8880	1.7810	1.7845
H9	2.8016	2.5401	2.0842	4.0303	1.0869	4.2141	1.7801	5.2963		1.7809	4.0193	3.9498
H10	2.8275	3.2703	2.0917	4.2006	1.0901	4.8798	1.7748	5.8880	1.7809		4.9902	4.6569
H11	2.7351	2.4703	3.2421	2.0850	4.2263	1.0865	4.8214	1.7810	4.0193	4.9902		1.7838
H12	2.9505	3.3581	2.6063	2.0799	3.7862	1.0849	4.0461	1.7845	3.9498	4.6569	1.7838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	112.298	S1	O4	C6	115.614
O2	S1	O3	106.202	O2	S1	O4	110.340
O3	S1	O4	94.657	O3	C5	H7	105.668
O3	C5	H9	110.681	O3	C5	H10	111.099
O4	C6	H8	105.125	O4	C6	H11	110.154
O4	C6	H12	109.844	H7	C5	H9	110.134
H7	C5	H10	109.407	H8	C6	H11	110.336
H8	C6	H12	110.784	H9	C5	H10	109.776
H11	C6	H12	110.475

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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