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	hartrees
Energy at 0K	-313.451064
Energy at 298.15K	-313.458752
Nuclear repulsion energy	228.205932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3391	3051	9.63
2	A	3390	3051	7.43
3	A	3368	3031	34.27
4	A	3363	3026	41.36
5	A	3260	2934	71.34
6	A	3256	2930	13.33
7	A	1651	1486	4.15
8	A	1645	1480	25.20
9	A	1638	1474	17.84
10	A	1630	1467	9.66
11	A	1595	1435	6.13
12	A	1587	1428	2.37
13	A	1279	1151	0.24
14	A	1278	1150	0.90
15	A	1258	1132	0.82
16	A	1258	1132	3.41
17	A	1092	983	254.16
18	A	1058	952	259.99
19	A	837	753	24.41
20	A	729	656	80.92
21	A	707	636	43.52
22	A	548	494	38.21
23	A	448	404	5.46
24	A	349	314	29.13
25	A	260	234	25.13
26	A	252	227	18.69
27	A	140	126	5.09
28	A	98	88	2.50
29	A	81	73	5.49
30	A	31	28	4.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.823	-0.789
O2	-0.000	1.537	0.667
O3	-1.305	-0.261	-0.733
O4	1.306	-0.260	-0.733
C5	-1.910	-0.689	0.526
C6	1.910	-0.689	0.526
H7	-2.859	-1.102	0.231
H8	2.859	-1.102	0.231
H9	-1.295	-1.446	0.988
H10	-2.038	0.151	1.190
H11	2.037	0.150	1.191
H12	1.294	-1.447	0.987

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.6222	1.6972	1.6972	2.7683	2.7683	3.5942	3.5941	3.1596	2.9193	2.9192	3.1597
O2	1.6222		2.6261	2.6261	2.9365	2.9367	3.9152	3.9151	3.2681	2.5197	2.5195	3.2687
O3	1.6972	2.6261		2.6113	1.4612	3.4797	2.0125	4.3567	2.0903	2.0985	3.8784	3.3359
O4	1.6972	2.6261	2.6113		3.4801	1.4612	4.3569	2.0125	3.3364	3.8791	2.0985	2.0902
C5	2.7683	2.9365	1.4612	3.4801		3.8197	1.0763	4.7959	1.0796	1.0779	4.0895	3.3250
C6	2.7683	2.9367	3.4797	1.4612	3.8197		4.7956	1.0763	3.3248	4.0902	1.0779	1.0796
H7	3.5942	3.9152	2.0125	4.3569	1.0763	4.7956		5.7179	1.7718	1.7785	5.1438	4.2358
H8	3.5941	3.9151	4.3567	2.0125	4.7959	1.0763	5.7179		4.2361	5.1447	1.7785	1.7718
H9	3.1596	3.2681	2.0903	3.3364	1.0796	3.3248	1.7718	4.2361		1.7731	3.6999	2.5890
H10	2.9193	2.5197	2.0985	3.8791	1.0779	4.0902	1.7785	5.1447	1.7731		4.0750	3.7011
H11	2.9192	2.5195	3.8784	2.0985	4.0895	1.0779	5.1438	1.7785	3.6999	4.0750		1.7731
H12	3.1597	3.2687	3.3359	2.0902	3.3250	1.0796	4.2358	1.7718	2.5890	3.7011	1.7731

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	122.263	S1	O4	C6	122.262
O2	S1	O3	104.559	O2	S1	O4	104.561
O3	S1	O4	100.580	O3	C5	H7	103.920
O3	C5	H9	109.794	O3	C5	H10	110.573
O4	C6	H8	103.920	O4	C6	H11	110.573
O4	C6	H12	109.792	H7	C5	H9	110.536
H7	C5	H10	111.300	H8	C6	H11	111.301
H8	C6	H12	110.535	H9	C5	H10	110.535
H11	C6	H12	110.537

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

using model chemistry: HF/LANL2DZ

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	1.388
2	O	-0.789
3	O	-0.681
4	O	-0.681
5	C	-0.271
6	C	-0.272
7	H	0.223
8	H	0.223
9	H	0.189
10	H	0.241
11	H	0.241
12	H	0.189

	x	y	z	Total
	-0.001	-2.367	1.184	2.647
CHELPG
AIM
ESP

	x	y	z
x	8.180	0.000	0.000
y	0.000	6.464	0.433
z	0.000	0.433	5.654

<r²>	186.262
(<r²>)^1/2	13.648

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

using model chemistry: HF/LANL2DZ

States and conformations

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