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	hartrees
Energy at 0K	-701.691283
Energy at 298.15K	-701.698414
HF Energy	-701.029835
Nuclear repulsion energy	326.992146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3079	4.85
2	A	3188	3077	28.15
3	A	3140	3031	47.55
4	A	3138	3030	5.28
5	A	3027	2922	51.97
6	A	3025	2920	9.92
7	A	1540	1487	0.90
8	A	1533	1480	20.43
9	A	1524	1471	18.72
10	A	1516	1464	3.67
11	A	1474	1423	7.11
12	A	1467	1416	1.33
13	A	1161	1121	0.51
14	A	1160	1120	0.06
15	A	1135	1096	0.08
16	A	1132	1093	0.47
17	A	1049	1013	148.51
18	A	918	886	120.47
19	A	909	878	68.40
20	A	544	525	67.48
21	A	485	468	181.56
22	A	468	451	66.26
23	A	390	376	27.61
24	A	258	249	7.91
25	A	243	235	18.71
26	A	230	222	20.68
27	A	136	131	0.77
28	A	97	93	1.63
29	A	93	90	4.25
30	A	40	39	1.68

Atom	x (Å)	y (Å)	z (Å)
S1	0.001	-0.930	-0.342
O2	-0.001	-1.079	1.234
O3	1.408	0.165	-0.747
O4	-1.405	0.168	-0.750
C5	1.870	1.089	0.342
C6	-1.873	1.086	0.341
H7	2.939	1.231	0.135
H8	-2.943	1.221	0.136
H9	1.324	2.043	0.270
H10	1.722	0.629	1.334
H11	-1.721	0.624	1.333
H12	-1.333	2.044	0.271

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.5833	1.8283	1.8292	2.8352	2.8357	3.6783	3.6770	3.3113	2.8636	2.8607	3.3162
O2	1.5833		2.7312	2.7317	3.0004	2.9986	3.8975	3.8927	3.5267	2.4282	2.4228	3.5292
O3	1.8283	2.7312		2.8127	1.5011	3.5775	2.0638	4.5638	2.1377	2.1554	3.7851	3.4759
O4	1.8292	2.7317	2.8127		3.5730	1.5009	4.5589	2.0643	3.4648	3.7857	2.1554	2.1373
C5	2.8352	3.0004	1.5011	3.5730		3.7436	1.0978	4.8198	1.1017	1.1045	3.7546	3.3435
C6	2.8357	2.9986	3.5775	1.5009	3.7436		4.8191	1.0978	3.3384	3.7576	1.1046	1.1016
H7	3.6783	3.8975	2.0638	4.5589	1.0978	4.8191		5.8825	1.8131	1.8118	4.8498	4.3514
H8	3.6770	3.8927	4.5638	2.0643	4.8198	1.0978	5.8825		4.3480	4.8527	1.8116	1.8131
H9	3.3113	3.5267	2.1377	3.4648	1.1017	3.3384	1.8131	4.3480		1.8144	3.5238	2.6574
H10	2.8636	2.4282	2.1554	3.7857	1.1045	3.7576	1.8118	4.8527	1.8144		3.4428	3.5305
H11	2.8607	2.4228	3.7851	2.1554	3.7546	1.1046	4.8498	1.8116	3.5238	3.4428		1.8143
H12	3.3162	3.5292	3.4759	2.1373	3.3435	1.1016	4.3514	1.8131	2.6574	3.5305	1.8143

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	116.429	S1	O4	C6	116.410
O2	S1	O3	106.149	O2	S1	O4	106.130
O3	S1	O4	100.534	O3	C5	H7	104.064
O3	C5	H9	109.477	O3	C5	H10	110.713
O4	C6	H8	104.111	O4	C6	H11	110.717
O4	C6	H12	109.458	H7	C5	H9	111.040
H7	C5	H10	110.711	H8	C6	H11	110.686
H8	C6	H12	111.047	H9	C5	H10	110.654
H11	C6	H12	110.643

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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