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	hartrees
Energy at 0K	-700.859130
Energy at 298.15K	-700.866609
Nuclear repulsion energy	331.035857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3093	3030	8.66
2	A	3092	3029	10.07
3	A	3032	2970	0.00
4	A	3029	2967	27.29
5	A	2928	2869	21.90
6	A	2926	2867	9.68
7	A	1482	1452	0.09
8	A	1469	1439	34.25
9	A	1460	1431	22.77
10	A	1449	1420	7.49
11	A	1419	1390	37.45
12	A	1408	1379	0.01
13	A	1145	1122	3.71
14	A	1144	1121	4.51
15	A	1107	1084	0.29
16	A	1106	1083	4.82
17	A	982	963	46.84
18	A	974	954	24.51
19	A	938	919	50.21
20	A	530	519	35.02
21	A	525	514	122.62
22	A	518	508	11.98
23	A	425	417	1.03
24	A	279	273	24.85
25	A	263	258	19.03
26	A	233	228	11.74
27	A	184	181	2.22
28	A	156	153	3.42
29	A	75	73	1.78
30	A	70	69	0.54

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	-0.936	-0.300
O2	-0.000	-0.861	1.316
O3	1.435	0.122	-0.771
O4	-1.435	0.122	-0.771
C5	1.818	1.032	0.278
C6	-1.818	1.032	0.278
H7	1.405	2.039	0.087
H8	-2.919	1.065	0.284
H9	1.463	0.663	1.265
H10	2.919	1.066	0.284
H11	-1.462	0.663	1.265
H12	-1.405	2.039	0.087

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6171	1.8441	1.8441	2.7412	2.7411	3.3126	3.5872	2.6730	3.5874	2.6726	3.3128
O2	1.6171		2.7164	2.7164	2.8228	2.8227	3.4485	3.6463	2.1130	3.6468	2.1126	3.4487
O3	1.8441	2.7164		2.8702	1.4405	3.5372	2.1006	4.5784	2.1067	2.0507	3.5819	3.5322
O4	1.8441	2.7164	2.8702		3.5373	1.4406	3.5320	2.0508	3.5825	4.5785	2.1066	2.1006
C5	2.7412	2.8228	1.4405	3.5373		3.6363	1.1049	4.7374	1.1124	1.1014	3.4453	3.3820
C6	2.7411	2.8227	3.5372	1.4406	3.6363		3.3816	1.1014	3.4459	4.7374	1.1124	1.1049
H7	3.3126	3.4485	2.1006	3.5320	1.1049	3.3816		4.4362	1.8121	1.8110	3.3906	2.8094
H8	3.5872	3.6463	4.5784	2.0508	4.7374	1.1014	4.4362		4.5081	5.8382	1.8018	1.8110
H9	2.6730	2.1130	2.1067	3.5825	1.1124	3.4459	1.8121	4.5081		1.8018	2.9246	3.3916
H10	3.5874	3.6468	2.0507	4.5785	1.1014	4.7374	1.8110	5.8382	1.8018		4.5076	4.4365
H11	2.6726	2.1126	3.5819	2.1066	3.4453	1.1124	3.3906	1.8018	2.9246	4.5076		1.8121
H12	3.3128	3.4487	3.5322	2.1006	3.3820	1.1049	2.8094	1.8110	3.3916	4.4365	1.8121

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	112.557	S1	O4	C6	112.552
O2	S1	O3	103.215	O2	S1	O4	103.214
O3	S1	O4	102.194	O3	C5	H7	110.538
O3	C5	H9	110.558	O3	C5	H10	106.797
O4	C6	H8	106.804	O4	C6	H11	110.553
O4	C6	H12	110.535	H7	C5	H9	109.618
H7	C5	H10	110.333	H8	C6	H11	108.949
H8	C6	H12	110.335	H9	C5	H10	108.950
H11	C6	H12	109.619

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	1.003
2	O	-0.564
3	O	-0.493
4	O	-0.493
5	C	-0.345
6	C	-0.345
7	H	0.189
8	H	0.213
9	H	0.217
10	H	0.213
11	H	0.217
12	H	0.189

	x	y	z	Total
	0.001	1.579	0.912	1.823
CHELPG
AIM
ESP

	x	y	z
x	10.436	-0.000	-0.000
y	-0.000	7.642	-0.110
z	-0.000	-0.110	6.574

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G

States and conformations

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