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	hartrees
Energy at 0K	-703.622630
Energy at 298.15K	-703.630456
Nuclear repulsion energy	347.233918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3158	3034	4.46
2	A	3157	3033	13.73
3	A	3132	3009	19.11
4	A	3129	3006	27.87
5	A	3050	2930	61.10
6	A	3046	2927	8.61
7	A	1521	1461	1.55
8	A	1512	1453	13.08
9	A	1510	1451	8.43
10	A	1498	1440	5.64
11	A	1470	1412	2.05
12	A	1460	1403	0.28
13	A	1193	1147	63.37
14	A	1187	1140	0.02
15	A	1183	1137	50.64
16	A	1168	1122	0.31
17	A	1166	1121	9.80
18	A	1021	981	187.50
19	A	991	952	137.26
20	A	675	648	88.38
21	A	647	622	256.43
22	A	590	567	12.81
23	A	470	451	0.02
24	A	332	319	11.41
25	A	279	269	13.14
26	A	272	261	10.92
27	A	155	149	0.99
28	A	105	101	0.09
29	A	101	97	2.76
30	A	51	49	1.04

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	-0.860	-0.320
O2	0.000	-1.054	1.146
O3	1.292	0.131	-0.693
O4	-1.293	0.131	-0.693
C5	1.781	1.041	0.311
C6	-1.781	1.041	0.312
H7	2.840	1.189	0.094
H8	-2.840	1.189	0.095
H9	1.255	1.999	0.245
H10	1.661	0.617	1.311
H11	-1.661	0.617	1.312
H12	-1.255	1.999	0.245

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4783	1.6711	1.6712	2.6807	2.6807	3.5268	3.5269	3.1737	2.7574	2.7574	3.1736
O2	1.4783		2.5411	2.5411	2.8737	2.8739	3.7688	3.7689	3.4220	2.3622	2.3624	3.4224
O3	1.6711	2.5411		2.5850	1.4410	3.3590	2.0337	4.3380	2.0909	2.0955	3.6023	3.2955
O4	1.6712	2.5411	2.5850		3.3594	1.4409	4.3383	2.0337	3.2961	3.6029	2.0955	2.0909
C5	2.6807	2.8737	1.4410	3.3594		3.5620	1.0912	4.6287	1.0948	1.0928	3.6092	3.1848
C6	2.6807	2.8739	3.3590	1.4409	3.5620		4.6286	1.0912	3.1846	3.6096	1.0928	1.0949
H7	3.5268	3.7688	2.0337	4.3383	1.0912	4.6286		5.6804	1.7861	1.7883	4.6975	4.1776
H8	3.5269	3.7689	4.3380	2.0337	4.6287	1.0912	5.6804		4.1776	4.6979	1.7883	1.7861
H9	3.1737	3.4220	2.0909	3.2961	1.0948	3.1846	1.7861	4.1776		1.7922	3.3986	2.5108
H10	2.7574	2.3622	2.0955	3.6029	1.0928	3.6096	1.7883	4.6979	1.7922		3.3221	3.3994
H11	2.7574	2.3624	3.6023	2.0955	3.6092	1.0928	4.6975	1.7883	3.3986	3.3221		1.7923
H12	3.1736	3.4224	3.2955	2.0909	3.1848	1.0949	4.1776	1.7861	2.5108	3.3994	1.7923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	118.757	S1	O4	C6	118.756
O2	S1	O3	107.417	O2	S1	O4	107.417
O3	S1	O4	101.323	O3	C5	H7	106.039
O3	C5	H9	110.341	O3	C5	H10	110.843
O4	C6	H8	106.041	O4	C6	H11	110.844
O4	C6	H12	110.341	H7	C5	H9	109.588
H7	C5	H10	109.933	H8	C6	H11	109.930
H8	C6	H12	109.586	H9	C5	H10	110.020
H11	C6	H12	110.022

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

using model chemistry: B3LYP/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	1.104
2	O	-0.588
3	O	-0.545
4	O	-0.545
5	C	-0.112
6	C	-0.112
7	H	0.136
8	H	0.136
9	H	0.117
10	H	0.146
11	H	0.146
12	H	0.117

	x	y	z	Total
	0.001	2.217	0.525	2.278
CHELPG
AIM
ESP

	x	y	z
x	8.495	0.000	-0.002
y	0.000	7.104	-0.103
z	-0.002	-0.103	6.087

<r²>	185.719
(<r²>)^1/2	13.628

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

using model chemistry: B3LYP/6-31G**

States and conformations

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