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	hartrees
Energy at 0K	-701.239852
Energy at 298.15K	-701.248205
HF Energy	-701.239852
Nuclear repulsion energy	354.315579

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3362	3021	15.60
2	A	3356	3015	20.79
3	A	3352	3012	18.25
4	A	3314	2978	30.30
5	A	3263	2932	31.71
6	A	3226	2898	50.07
7	A	1658	1490	10.85
8	A	1657	1489	5.27
9	A	1645	1478	4.31
10	A	1643	1476	4.72
11	A	1624	1459	3.56
12	A	1614	1450	1.47
13	A	1329	1194	172.60
14	A	1321	1187	15.62
15	A	1311	1178	36.72
16	A	1293	1162	3.74
17	A	1289	1158	2.29
18	A	1165	1047	173.82
19	A	1130	1016	472.28
20	A	844	759	84.71
21	A	817	734	240.49
22	A	643	578	22.60
23	A	514	462	5.00
24	A	438	393	17.73
25	A	310	278	6.87
26	A	248	223	9.45
27	A	173	155	6.33
28	A	144	129	4.75
29	A	90	81	4.88
30	A	74	66	4.17

Atom	x (Å)	y (Å)	z (Å)
S1	-0.029	0.581	-0.477
O2	-0.041	1.334	0.752
O3	-0.890	-0.763	-0.195
O4	1.362	-0.169	-0.614
C5	-2.226	-0.569	0.242
C6	1.955	-0.781	0.534
H7	-2.663	-1.553	0.304
H8	2.934	-1.097	0.213
H9	-2.242	-0.090	1.210
H10	-2.784	0.027	-0.473
H11	2.034	-0.065	1.337
H12	1.368	-1.633	0.842

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4419	1.6206	1.5858	2.5816	2.6097	3.4786	3.4739	2.8627	2.8100	2.8226	2.9306
O2	1.4419		2.4530	2.4683	2.9419	2.9160	3.9255	3.8795	2.6614	3.2762	2.5706	3.2856
O3	1.6206	2.4530		2.3664	1.4188	2.9369	2.0041	3.8602	2.0631	2.0702	3.3750	2.6324
O4	1.5858	2.4683	2.3664		3.7100	1.4294	4.3540	2.0038	4.0400	4.1525	2.0663	2.0641
C5	2.5816	2.9419	1.4188	3.7100		4.1960	1.0786	5.1868	1.0800	1.0847	4.4277	3.7954
C6	2.6097	2.9160	2.9369	1.4294	4.1960		4.6873	1.0781	4.3067	4.9109	1.0789	1.0792
H7	3.4786	3.9255	2.0041	4.3540	1.0786	4.6873		5.6161	1.7712	1.7643	5.0346	4.0671
H8	3.4739	3.8795	3.8602	2.0038	5.1868	1.0781	5.6161		5.3667	5.8671	1.7716	1.7708
H9	2.8627	2.6614	2.0631	4.0400	1.0800	4.3067	1.7712	5.3667		1.7717	4.2788	3.9431
H10	2.8100	3.2762	2.0702	4.1525	1.0847	4.9109	1.7643	5.8671	1.7717		5.1479	4.6599
H11	2.8226	2.5706	3.3750	2.0663	4.4277	1.0789	5.0346	1.7716	4.2788	5.1479		1.7744
H12	2.9306	3.2856	2.6324	2.0641	3.7954	1.0792	4.0671	1.7708	3.9431	4.6599	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	116.126	S1	O4	C6	119.796
O2	S1	O3	106.294	O2	S1	O4	109.132
O3	S1	O4	95.118	O3	C5	H7	105.923
O3	C5	H9	110.570	O3	C5	H10	110.857
O4	C6	H8	105.230	O4	C6	H11	110.151
O4	C6	H12	109.944	H7	C5	H9	110.278
H7	C5	H10	109.283	H8	C6	H11	110.439
H8	C6	H12	110.335	H9	C5	H10	109.860
H11	C6	H12	110.614

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

using model chemistry: HF/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	1.367
2	O	-0.733
3	O	-0.712
4	O	-0.672
5	C	-0.201
6	C	-0.206
7	H	0.196
8	H	0.195
9	H	0.201
10	H	0.168
11	H	0.205
12	H	0.192

	x	y	z	Total
	-0.851	-1.897	0.060	2.080
CHELPG	-0.892	-1.829	-0.001	2.035
AIM
ESP	-0.918	-1.877	0.032	2.090

	x	y	z
x	7.686	0.018	0.003
y	0.018	6.163	0.158
z	0.003	0.158	5.434

<r²>	188.153
(<r²>)^1/2	13.717

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

using model chemistry: HF/6-31G*

States and conformations

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