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	hartrees
Energy at 0K	-703.497804
Energy at 298.15K	-703.505843
HF Energy	-703.497804
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3210	3044	12.23
2	A	3193	3029	11.81
3	A	3191	3026	11.68
4	A	3150	2987	23.60
5	A	3097	2938	27.13
6	A	3060	2902	49.89
7	A	1546	1467	11.50
8	A	1540	1461	8.54
9	A	1533	1454	6.75
10	A	1530	1451	8.47
11	A	1506	1428	2.38
12	A	1488	1412	0.81
13	A	1255	1191	149.13
14	A	1219	1157	3.06
15	A	1211	1148	1.66
16	A	1194	1132	1.96
17	A	1188	1127	1.79
18	A	1088	1032	140.19
19	A	1050	996	252.98
20	A	762	723	98.53
21	A	710	673	217.47
22	A	582	552	15.48
23	A	465	441	3.21
24	A	388	368	9.89
25	A	294	279	4.59
26	A	229	218	9.08
27	A	190	180	1.46
28	A	144	136	5.19
29	A	86	82	5.35
30	A	60	57	3.54

Atom	x (Å)	y (Å)	z (Å)
S1	-0.019	0.596	-0.487
O2	-0.072	1.360	0.763
O3	-0.902	-0.807	-0.235
O4	1.416	-0.171	-0.623
C5	-2.226	-0.570	0.251
C6	1.935	-0.793	0.569
H7	-2.675	-1.556	0.376
H8	2.978	-1.009	0.343
H9	-2.201	-0.046	1.210
H10	-2.817	0.007	-0.471
H11	1.866	-0.105	1.415
H12	1.385	-1.712	0.776

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4663	1.6764	1.6326	2.6026	2.6193	3.5248	3.5003	2.8376	2.8592	2.7685	2.9826
O2	1.4663		2.5264	2.5455	2.9373	2.9498	3.9277	3.8856	2.5905	3.3000	2.5161	3.4007
O3	1.6764	2.5264		2.4348	1.4302	2.9490	2.0187	3.9288	2.0866	2.0940	3.2988	2.6603
O4	1.6326	2.5455	2.4348		3.7666	1.4412	4.4325	2.0197	4.0567	4.2393	2.0884	2.0822
C5	2.6026	2.9373	1.4302	3.7666		4.1792	1.0904	5.2240	1.0930	1.0970	4.2804	3.8244
C6	2.6193	2.9498	2.9490	1.4412	4.1792		4.6761	1.0894	4.2512	4.9298	1.0924	1.0911
H7	3.5248	3.9277	2.0187	4.4325	1.0904	4.6761		5.6794	1.7884	1.7835	4.8791	4.0827
H8	3.5003	3.8856	3.9288	2.0197	5.2240	1.0894	5.6794		5.3389	5.9401	1.7896	1.7941
H9	2.8376	2.5905	2.0866	4.0567	1.0930	4.2512	1.7884	5.3389		1.7915	4.0730	3.9780
H10	2.8592	3.3000	2.0940	4.2393	1.0970	4.9298	1.7835	5.9401	1.7915		5.0505	4.7090
H11	2.7685	2.5161	3.2988	2.0884	4.2804	1.0924	4.8791	1.7896	4.0730	5.0505		1.7949
H12	2.9826	3.4007	2.6603	2.0822	3.8244	1.0911	4.0827	1.7941	3.9780	4.7090	1.7949

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	113.571	S1	O4	C6	116.757
O2	S1	O3	106.816	O2	S1	O4	110.342
O3	S1	O4	94.743	O3	C5	H7	105.638
O3	C5	H9	110.872	O3	C5	H10	111.229
O4	C6	H8	105.051	O4	C6	H11	110.274
O4	C6	H12	109.858	H7	C5	H9	109.988
H7	C5	H10	109.242	H8	C6	H11	110.217
H8	C6	H12	110.733	H9	C5	H10	109.787
H11	C6	H12	110.577

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

using model chemistry: wB97X-D/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	1.093
2	O	-0.585
3	O	-0.569
4	O	-0.527
5	C	-0.283
6	C	-0.289
7	H	0.197
8	H	0.197
9	H	0.198
10	H	0.171
11	H	0.202
12	H	0.195

	x	y	z	Total
	-0.758	-1.583	0.256	1.773
CHELPG
AIM
ESP

	x	y	z
x	8.516	-0.027	0.047
y	-0.027	6.737	0.126
z	0.047	0.126	5.848

<r²>	189.648
(<r²>)^1/2	13.771

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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