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	hartrees
Energy at 0K	-702.776466
Energy at 298.15K	-702.784491
HF Energy	-701.417244
Nuclear repulsion energy	352.446871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3224	3061	6.93
2	A	3210	3048	6.60
3	A	3205	3042	6.57
4	A	3169	3009	15.16
5	A	3119	2961	26.80
6	A	3087	2931	40.47
7	A	1540	1462	13.58
8	A	1539	1461	6.77
9	A	1520	1443	12.31
10	A	1520	1443	2.83
11	A	1482	1407	0.57
12	A	1474	1399	0.57
13	A	1254	1191	137.30
14	A	1203	1142	4.93
15	A	1201	1140	3.61
16	A	1189	1128	2.05
17	A	1185	1125	0.92
18	A	1067	1013	115.44
19	A	1036	983	254.96
20	A	763	724	102.71
21	A	703	668	222.44
22	A	580	550	14.31
23	A	466	442	2.48
24	A	397	377	7.00
25	A	296	281	5.94
26	A	233	221	6.62
27	A	152	144	6.25
28	A	126	120	0.92
29	A	90	85	4.18
30	A	66	63	2.04

Atom	x (Å)	y (Å)	z (Å)
S1	-0.024	0.595	-0.481
O2	-0.058	1.333	0.772
O3	-0.860	-0.786	-0.212
O4	1.374	-0.161	-0.625
C5	-2.197	-0.570	0.235
C6	1.900	-0.791	0.551
H7	-2.649	-1.549	0.307
H8	2.898	-1.108	0.286
H9	-2.203	-0.085	1.204
H10	-2.758	0.031	-0.477
H11	1.935	-0.082	1.370
H12	1.293	-1.646	0.822

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4546	1.6369	1.5964	2.5672	2.5862	3.4799	3.4678	2.8371	2.7913	2.7792	2.9074
O2	1.4546		2.4708	2.4975	2.9132	2.8974	3.9039	3.8643	2.6076	3.2473	2.5169	3.2717
O3	1.6369	2.4708		2.3569	1.4255	2.8640	2.0128	3.8046	2.0737	2.0828	3.2883	2.5385
O4	1.5964	2.4975	2.3569		3.6958	1.4343	4.3571	2.0119	4.0187	4.1392	2.0743	2.0747
C5	2.5672	2.9132	1.4255	3.6958		4.1148	1.0808	5.1229	1.0840	1.0875	4.3124	3.6984
C6	2.5862	2.8974	2.8640	1.4343	4.1148		4.6185	1.0800	4.2142	4.8402	1.0832	1.0830
H7	3.4799	3.9039	2.0128	4.3571	1.0808	4.6185		5.5645	1.7743	1.7671	4.9291	3.9767
H8	3.4678	3.8643	3.8046	2.0119	5.1229	1.0800	5.5645		5.2827	5.8193	1.7758	1.7752
H9	2.8371	2.6076	2.0737	4.0187	1.0840	4.2142	1.7743	5.2827		1.7737	4.1414	3.8478
H10	2.7913	3.2473	2.0828	4.1392	1.0875	4.8402	1.7671	5.8193	1.7737		5.0444	4.5722
H11	2.7792	2.5169	3.2883	2.0743	4.3124	1.0832	4.9291	1.7758	4.1414	5.0444		1.7769
H12	2.9074	3.2717	2.5385	2.0747	3.6984	1.0830	3.9767	1.7752	3.8478	4.5722	1.7769

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	113.740	S1	O4	C6	117.052
O2	S1	O3	105.962	O2	S1	O4	109.804
O3	S1	O4	93.589	O3	C5	H7	106.038
O3	C5	H9	110.716	O3	C5	H10	111.242
O4	C6	H8	105.431	O4	C6	H11	110.181
O4	C6	H12	110.230	H7	C5	H9	110.091
H7	C5	H10	109.163	H8	C6	H11	110.356
H8	C6	H12	110.321	H9	C5	H10	109.530
H11	C6	H12	110.227

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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