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	hartrees
Energy at 0K	-701.632564
Energy at 298.15K	-701.639879
HF Energy	-700.965389
Nuclear repulsion energy	327.124034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3203	3064	4.89
2	A	3201	3063	20.83
3	A	3154	3018	31.46
4	A	3153	3017	3.52
5	A	3060	2928	32.87
6	A	3058	2926	6.81
7	A	1575	1507	1.38
8	A	1568	1500	16.08
9	A	1558	1491	15.17
10	A	1551	1484	4.38
11	A	1498	1433	7.77
12	A	1491	1426	4.06
13	A	1182	1131	0.26
14	A	1181	1130	0.32
15	A	1151	1102	0.05
16	A	1150	1100	0.53
17	A	1049	1003	136.45
18	A	919	879	110.48
19	A	910	871	61.13
20	A	550	526	84.93
21	A	515	493	186.23
22	A	495	474	35.67
23	A	402	384	7.55
24	A	252	241	20.23
25	A	244	234	1.36
26	A	239	229	29.71
27	A	148	141	0.10
28	A	127	122	1.79
29	A	95	91	4.18
30	A	47	45	1.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	-0.926	-0.351
O2	-0.000	-1.090	1.237
O3	1.412	0.178	-0.754
O4	-1.412	0.178	-0.754
C5	1.852	1.080	0.349
C6	-1.852	1.080	0.349
H7	1.343	2.047	0.260
H8	-2.929	1.193	0.202
H9	1.646	0.627	1.329
H10	2.929	1.193	0.202
H11	-1.646	0.627	1.329
H12	-1.343	2.047	0.260

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5964	1.8369	1.8370	2.8186	2.8186	3.3187	3.6571	2.8183	3.6571	2.8182	3.3188
O2	1.5964		2.7505	2.7506	2.9879	2.9879	3.5494	3.8550	2.3802	3.8552	2.3800	3.5494
O3	1.8369	2.7505		2.8232	1.4915	3.5614	2.1270	4.5591	2.1438	2.0607	3.7268	3.4798
O4	1.8370	2.7506	2.8232		3.5612	1.4915	3.4794	2.0606	3.7267	4.5589	2.1438	2.1270
C5	2.8186	2.9879	1.4915	3.5612		3.7044	1.0963	4.7848	1.0991	1.0927	3.6608	3.3397
C6	2.8186	2.9879	3.5614	1.4915	3.7044		3.3395	1.0926	3.6608	4.7848	1.0991	1.0963
H7	3.3187	3.5494	2.1270	3.4794	1.0963	3.3395		4.3570	1.8031	1.8021	3.4775	2.6863
H8	3.6571	3.8550	4.5591	2.0606	4.7848	1.0926	4.3570		4.7455	5.8580	1.7992	1.8021
H9	2.8183	2.3802	2.1438	3.7267	1.0991	3.6608	1.8031	4.7455		1.7992	3.2916	3.4776
H10	3.6571	3.8552	2.0607	4.5589	1.0927	4.7848	1.8021	5.8580	1.7992		4.7455	4.3571
H11	2.8182	2.3800	3.7268	2.1438	3.6608	1.0991	3.4775	1.7992	3.2916	4.7455		1.8031
H12	3.3188	3.5494	3.4798	2.1270	3.3397	1.0963	2.6863	1.8021	3.4776	4.3571	1.8031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	115.347	S1	O4	C6	115.347
O2	S1	O3	106.265	O2	S1	O4	106.264
O3	S1	O4	100.427	O3	C5	H7	109.611
O3	C5	H9	110.782	O3	C5	H10	104.717
O4	C6	H8	104.716	O4	C6	H11	110.781
O4	C6	H12	109.613	H7	C5	H9	110.429
H7	C5	H10	110.822	H8	C6	H11	110.347
H8	C6	H12	110.824	H9	C5	H10	110.348
H11	C6	H12	110.427

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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