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	hartrees
Energy at 0K	-703.455496
Energy at 298.15K	-703.463416
Nuclear repulsion energy	348.924110

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3038	3.67
2	A	3169	3037	14.20
3	A	3144	3013	19.23
4	A	3142	3011	22.12
5	A	3056	2929	61.32
6	A	3053	2926	11.59
7	A	1516	1453	1.96
8	A	1507	1444	9.68
9	A	1506	1444	14.70
10	A	1495	1433	5.67
11	A	1465	1404	2.68
12	A	1455	1394	0.00
13	A	1209	1159	122.38
14	A	1187	1137	2.99
15	A	1186	1137	0.01
16	A	1168	1119	0.09
17	A	1167	1118	3.47
18	A	1046	1002	185.30
19	A	1016	974	138.98
20	A	689	660	91.95
21	A	667	639	259.49
22	A	600	575	11.35
23	A	475	455	0.17
24	A	336	322	11.69
25	A	283	271	14.16
26	A	275	264	11.63
27	A	163	156	0.54
28	A	120	115	0.13
29	A	103	99	3.12
30	A	53	51	0.94

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	-0.855	-0.318
O2	-0.000	-1.040	1.145
O3	1.286	0.128	-0.692
O4	-1.285	0.129	-0.692
C5	1.772	1.033	0.308
C6	-1.773	1.033	0.308
H7	2.838	1.161	0.111
H8	-2.838	1.160	0.110
H9	1.266	2.000	0.225
H10	1.627	0.620	1.310
H11	-1.628	0.619	1.310
H12	-1.267	2.000	0.226

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4744	1.6613	1.6614	2.6641	2.6642	3.5071	3.5070	3.1703	2.7342	2.7340	3.1709
O2	1.4744		2.5284	2.5284	2.8532	2.8528	3.7375	3.7370	3.4199	2.3311	2.3305	3.4197
O3	1.6613	2.5284		2.5711	1.4337	3.3425	2.0294	4.3261	2.0847	2.0897	3.5695	3.2962
O4	1.6614	2.5284	2.5711		3.3414	1.4336	4.3252	2.0294	3.2942	3.5687	2.0897	2.0847
C5	2.6641	2.8532	1.4337	3.3414		3.5445	1.0913	4.6161	1.0948	1.0934	3.5690	3.1902
C6	2.6642	2.8528	3.3425	1.4336	3.5445		4.6161	1.0913	3.1898	3.5686	1.0934	1.0948
H7	3.5071	3.7375	2.0294	4.3252	1.0913	4.6161		5.6758	1.7856	1.7877	4.6559	4.1912
H8	3.5070	3.7370	4.3261	2.0294	4.6161	1.0913	5.6758		4.1907	4.6555	1.7877	1.7856
H9	3.1703	3.4199	2.0847	3.2942	1.0948	3.1898	1.7856	4.1907		1.7928	3.3856	2.5328
H10	2.7342	2.3311	2.0897	3.5687	1.0934	3.5686	1.7877	4.6555	1.7928		3.2559	3.3851
H11	2.7340	2.3305	3.5695	2.0897	3.5690	1.0934	4.6559	1.7877	3.3856	3.2559		1.7927
H12	3.1709	3.4197	3.2962	2.0847	3.1902	1.0948	4.1912	1.7856	2.5328	3.3851	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	118.624	S1	O4	C6	118.628
O2	S1	O3	107.327	O2	S1	O4	107.323
O3	S1	O4	101.393	O3	C5	H7	106.181
O3	C5	H9	110.359	O3	C5	H10	110.848
O4	C6	H8	106.184	O4	C6	H11	110.850
O4	C6	H12	110.359	H7	C5	H9	109.529
H7	C5	H10	109.823	H8	C6	H11	109.822
H8	C6	H12	109.527	H9	C5	H10	110.026
H11	C6	H12	110.023

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

using model chemistry: B3PW91/6-31G**

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	1.113
2	O	-0.592
3	O	-0.547
4	O	-0.547
5	C	-0.179
6	C	-0.179
7	H	0.159
8	H	0.159
9	H	0.139
10	H	0.168
11	H	0.168
12	H	0.139

	x	y	z	Total
	-0.001	2.246	0.540	2.310
CHELPG
AIM
ESP

<r²>	183.931
(<r²>)^1/2	13.562

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

using model chemistry: B3PW91/6-31G**

States and conformations

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