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	hartrees
Energy at 0K	-702.222756
Energy at 298.15K	-702.230850
HF Energy	-701.236112
Nuclear repulsion energy	350.420523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3246	3045	10.45
2	A	3234	3035	9.36
3	A	3230	3031	8.99
4	A	3193	2996	18.86
5	A	3135	2942	21.91
6	A	3102	2911	37.25
7	A	1568	1471	13.87
8	A	1567	1470	6.39
9	A	1552	1456	6.85
10	A	1550	1454	5.44
11	A	1523	1429	1.12
12	A	1512	1419	0.35
13	A	1276	1197	171.84
14	A	1230	1155	4.62
15	A	1227	1151	2.73
16	A	1212	1137	2.32
17	A	1207	1132	2.34
18	A	1100	1033	134.05
19	A	1068	1002	268.21
20	A	780	732	100.95
21	A	736	691	216.32
22	A	596	559	17.87
23	A	476	446	3.88
24	A	400	375	12.45
25	A	303	285	7.00
26	A	237	223	8.89
27	A	170	160	5.70
28	A	142	133	3.59
29	A	83	78	5.19
30	A	66	62	2.69

Atom	x (Å)	y (Å)	z (Å)
S1	-0.026	0.605	-0.480
O2	-0.059	1.346	0.776
O3	-0.867	-0.783	-0.219
O4	1.378	-0.161	-0.623
C5	-2.210	-0.586	0.237
C6	1.919	-0.805	0.547
H7	-2.651	-1.580	0.293
H8	2.918	-1.125	0.259
H9	-2.219	-0.113	1.222
H10	-2.784	0.024	-0.471
H11	1.970	-0.097	1.377
H12	1.306	-1.667	0.819

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4584	1.6440	1.6056	2.5891	2.6122	3.5022	3.4939	2.8673	2.8189	2.8147	2.9360
O2	1.4584		2.4849	2.5084	2.9412	2.9305	3.9391	3.9035	2.6447	3.2757	2.5609	3.3075
O3	1.6440	2.4849		2.3649	1.4313	2.8896	2.0196	3.8312	2.0857	2.0944	3.3264	2.5655
O4	1.6056	2.5084	2.3649		3.7141	1.4412	4.3688	2.0200	4.0429	4.1689	2.0867	2.0859
C5	2.5891	2.9412	1.4313	3.7141		4.1460	1.0894	5.1566	1.0924	1.0964	4.3597	3.7241
C6	2.6122	2.9305	2.8896	1.4412	4.1460		4.6416	1.0888	4.2489	4.8823	1.0915	1.0914
H7	3.5022	3.9391	2.0196	4.3688	1.0894	4.6416		5.5877	1.7895	1.7819	4.9720	3.9924
H8	3.4939	3.9035	3.8312	2.0200	5.1566	1.0888	5.5877		5.3240	5.8624	1.7909	1.7903
H9	2.8673	2.6447	2.0857	4.0429	1.0924	4.2489	1.7895	5.3240		1.7895	4.1915	3.8734
H10	2.8189	3.2757	2.0944	4.1689	1.0964	4.8823	1.7819	5.8624	1.7895		5.1015	4.6095
H11	2.8147	2.5609	3.3264	2.0867	4.3597	1.0915	4.9720	1.7909	4.1915	5.1015		1.7928
H12	2.9360	3.3075	2.5655	2.0859	3.7241	1.0914	3.9924	1.7903	3.8734	4.6095	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	114.504	S1	O4	C6	117.944
O2	S1	O3	106.289	O2	S1	O4	109.812
O3	S1	O4	93.391	O3	C5	H7	105.685
O3	C5	H9	110.755	O3	C5	H10	111.216
O4	C6	H8	105.107	O4	C6	H11	110.193
O4	C6	H12	110.133	H7	C5	H9	110.203
H7	C5	H10	109.218	H8	C6	H11	110.447
H8	C6	H12	110.409	H9	C5	H10	109.689
H11	C6	H12	110.432

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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