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	hartrees
Energy at 0K	-702.242760
Energy at 298.15K	-702.250481
HF Energy	-701.248061
Nuclear repulsion energy	341.965251

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3222	3069	6.60
2	A	3222	3069	10.07
3	A	3165	3015	45.05
4	A	3165	3014	3.67
5	A	3067	2921	13.22
6	A	3066	2920	88.01
7	A	1512	1440	5.94
8	A	1510	1439	23.84
9	A	1489	1418	12.18
10	A	1489	1418	0.27
11	A	1465	1395	0.07
12	A	1460	1390	6.71
13	A	1238	1179	134.39
14	A	1191	1135	2.32
15	A	1183	1127	8.05
16	A	1176	1120	3.64
17	A	1174	1118	0.62
18	A	1082	1031	0.12
19	A	1042	993	325.44
20	A	740	705	113.02
21	A	672	640	230.43
22	A	493	470	26.77
23	A	431	411	0.82
24	A	386	368	0.03
25	A	275	262	6.21
26	A	187	178	2.83
27	A	141	135	0.61
28	A	141	134	0.63
29	A	59	56	8.71
30	A	56	53	2.75

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.251	0.446
O2	-0.000	1.501	-0.353
O3	1.167	-0.800	-0.171
O4	-1.167	-0.800	-0.171
C5	2.479	-0.222	-0.091
C6	-2.479	-0.222	-0.091
H7	3.157	-0.978	-0.509
H8	-3.157	-0.977	-0.510
H9	2.544	0.704	-0.686
H10	2.773	-0.010	0.954
H11	-2.774	-0.011	0.954
H12	-2.544	0.705	-0.685

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4834	1.6875	1.6876	2.5805	2.5805	3.5200	3.5200	2.8213	2.8315	2.8320	2.8207
O2	1.4834		2.5863	2.5864	3.0305	3.0305	4.0170	4.0166	2.6869	3.4181	3.4188	2.6862
O3	1.6875	2.5863		2.3342	1.4361	3.6928	2.0264	4.3410	2.1033	2.1139	4.1734	4.0374
O4	1.6876	2.5864	2.3342		3.6928	1.4361	4.3411	2.0264	4.0376	4.1732	2.1139	2.1034
C5	2.5805	3.0305	1.4361	3.6928		4.9586	1.0981	5.7022	1.1026	1.1057	5.3600	5.1425
C6	2.5805	3.0305	3.6928	1.4361	4.9586		5.7022	1.0980	5.1428	5.3597	1.1057	1.1026
H7	3.5200	4.0170	2.0264	4.3411	1.0981	5.7022		6.3141	1.7990	1.7953	6.1846	5.9469
H8	3.5200	4.0166	4.3410	2.0264	5.7022	1.0980	6.3141		5.9468	6.1844	1.7954	1.7990
H9	2.8213	2.6869	2.1033	4.0376	1.1026	5.1428	1.7990	5.9468		1.8030	5.6109	5.0884
H10	2.8315	3.4181	2.1139	4.1732	1.1057	5.3597	1.7953	6.1844	1.8030		5.5470	5.6098
H11	2.8320	3.4188	4.1734	2.1139	5.3600	1.1057	6.1846	1.7954	5.6109	5.5470		1.8030
H12	2.8207	2.6862	4.0374	2.1034	5.1425	1.1026	5.9469	1.7990	5.0884	5.6098	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	111.156	S1	O4	C6	111.148
O2	S1	O3	109.133	O2	S1	O4	109.133
O3	S1	O4	87.515	O3	C5	H7	105.409
O3	C5	H9	111.217	O3	C5	H10	111.880
O4	C6	H8	105.409	O4	C6	H11	111.879
O4	C6	H12	111.218	H7	C5	H9	109.667
H7	C5	H10	109.104	H8	C6	H11	109.110
H8	C6	H12	109.666	H9	C5	H10	109.464
H11	C6	H12	109.461

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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