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	hartrees
Energy at 0K	-72.378806
Energy at 298.15K	-72.386654
HF Energy	-71.405882
Nuclear repulsion energy	144.918988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3073	8.62
2	A	3225	3073	10.95
3	A	3177	3027	44.74
4	A	3176	3027	2.30
5	A	3069	2924	13.84
6	A	3068	2923	77.35
7	A	1542	1469	8.43
8	A	1541	1468	16.17
9	A	1525	1453	13.01
10	A	1525	1453	3.07
11	A	1499	1428	0.37
12	A	1494	1424	4.31
13	A	1218	1160	150.08
14	A	1202	1146	16.12
15	A	1194	1138	12.41
16	A	1184	1128	4.93
17	A	1180	1124	0.13
18	A	1049	1000	0.17
19	A	1006	958	344.79
20	A	748	713	127.51
21	A	677	645	221.56
22	A	493	470	26.73
23	A	428	408	0.97
24	A	386	367	0.15
25	A	275	262	6.82
26	A	187	179	3.45
27	A	168	160	0.62
28	A	168	160	1.13
29	A	77	73	3.16
30	A	72	69	12.18

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	0.248	0.508
O2	0.001	1.545	-0.221
O3	1.170	-0.758	-0.152
O4	-1.170	-0.757	-0.153
C5	2.497	-0.170	-0.004
C6	-2.497	-0.170	-0.004
H7	3.176	-0.940	-0.368
H8	-3.177	-0.939	-0.369
H9	2.582	0.735	-0.611
H10	2.715	0.052	1.047
H11	-2.715	0.050	1.048
H12	-2.583	0.736	-0.609

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4880	1.6778	1.6778	2.5830	2.5829	3.5028	3.5027	2.8566	2.7750	2.7748	2.8564
O2	1.4880		2.5834	2.5833	3.0362	3.0376	4.0350	4.0360	2.7337	3.3470	3.3493	2.7353
O3	1.6778	2.5834		2.3394	1.4589	3.7164	2.0266	4.3554	2.1061	2.1169	4.1450	4.0652
O4	1.6778	2.5833	2.3394		3.7162	1.4588	4.3554	2.0266	4.0639	4.1458	2.1169	2.1061
C5	2.5830	3.0362	1.4589	3.7162		4.9937	1.0896	5.7369	1.0930	1.0965	5.3213	5.1956
C6	2.5829	3.0376	3.7164	1.4588	4.9937		5.7370	1.0895	5.1950	5.3216	1.0965	1.0930
H7	3.5028	4.0350	2.0266	4.3554	1.0896	5.7370		6.3530	1.7937	1.7891	6.1395	6.0035
H8	3.5027	4.0360	4.3554	2.0266	5.7369	1.0895	6.3530		6.0023	6.1401	1.7892	1.7936
H9	2.8566	2.7337	2.1061	4.0639	1.0930	5.1950	1.7937	6.0023		1.7978	5.5930	5.1658
H10	2.7750	3.3470	2.1169	4.1458	1.0965	5.3216	1.7891	6.1401	1.7978		5.4299	5.5930
H11	2.7748	3.3493	4.1450	2.1169	5.3213	1.0965	6.1395	1.7892	5.5930	5.4299		1.7977
H12	2.8564	2.7353	4.0652	2.1061	5.1956	1.0930	6.0035	1.7936	5.1658	5.5930	1.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	110.678	S1	O4	C6	110.671
O2	S1	O3	109.227	O2	S1	O4	109.229
O3	S1	O4	88.400	O3	C5	H7	104.423
O3	C5	H9	110.422	O3	C5	H10	111.080
O4	C6	H8	104.426	O4	C6	H11	111.077
O4	C6	H12	110.424	H7	C5	H9	110.536
H7	C5	H10	109.853	H8	C6	H11	109.857
H8	C6	H12	110.531	H9	C5	H10	110.387
H11	C6	H12	110.384

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

using model chemistry: MP2/CEP-121G*

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

using model chemistry: MP2/CEP-121G*

States and conformations

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