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	hartrees
Energy at 0K	-701.061510
Energy at 298.15K	-701.069548
Nuclear repulsion energy	351.759492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3090	3032	1.11
2	A	3089	3031	13.68
3	A	3043	2986	10.72
4	A	3041	2984	11.26
5	A	2961	2905	55.43
6	A	2960	2904	8.67
7	A	1453	1426	0.50
8	A	1443	1416	15.41
9	A	1438	1411	22.85
10	A	1423	1396	2.54
11	A	1398	1372	9.48
12	A	1386	1360	1.85
13	A	1187	1165	109.46
14	A	1144	1123	0.88
15	A	1142	1121	0.73
16	A	1125	1104	0.49
17	A	1123	1102	1.15
18	A	1057	1037	138.14
19	A	1035	1016	82.08
20	A	679	666	84.70
21	A	658	646	232.47
22	A	592	581	10.82
23	A	466	457	0.18
24	A	332	325	10.78
25	A	300	294	15.58
26	A	297	291	13.30
27	A	210	206	0.02
28	A	149	146	0.12
29	A	125	122	2.42
30	A	38	37	0.48

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	-0.877	-0.301
O2	-0.000	-0.987	1.175
O3	1.284	0.105	-0.701
O4	-1.283	0.105	-0.701
C5	1.683	1.044	0.284
C6	-1.683	1.044	0.284
H7	1.168	2.011	0.132
H8	-2.768	1.185	0.176
H9	1.457	0.661	1.297
H10	2.768	1.185	0.176
H11	-1.457	0.661	1.297
H12	-1.168	2.011	0.132

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4795	1.6644	1.6644	2.6199	2.6199	3.1449	3.4847	2.6532	3.4847	2.6532	3.1450
O2	1.4795		2.5209	2.5209	2.7837	2.7836	3.3820	3.6577	2.2027	3.6578	2.2026	3.3820
O3	1.6644	2.5209		2.5669	1.4188	3.2636	2.0836	4.2842	2.0809	2.0351	3.4367	3.2154
O4	1.6644	2.5209	2.5669		3.2635	1.4188	3.2152	2.0351	3.4367	4.2841	2.0809	2.0836
C5	2.6199	2.7837	1.4188	3.2635		3.3651	1.1056	4.4545	1.1061	1.1003	3.3212	3.0140
C6	2.6199	2.7836	3.2636	1.4188	3.3651		3.0139	1.1003	3.3212	4.4545	1.1061	1.1056
H7	3.1449	3.3820	2.0836	3.2152	1.1056	3.0139		4.0224	1.8069	1.8013	3.1739	2.3362
H8	3.4847	3.6577	4.2842	2.0351	4.4545	1.1003	4.0224		4.4031	5.5368	1.8032	1.8013
H9	2.6532	2.2027	2.0809	3.4367	1.1061	3.3212	1.8069	4.4031		1.8032	2.9144	3.1738
H10	3.4847	3.6578	2.0351	4.2841	1.1003	4.4545	1.8013	5.5368	1.8032		4.4031	4.0224
H11	2.6532	2.2026	3.4367	2.0809	3.3212	1.1061	3.1739	1.8032	2.9144	4.4031		1.8069
H12	3.1450	3.3820	3.2154	2.0836	3.0140	1.1056	2.3362	1.8013	3.1738	4.0224	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	116.143	S1	O4	C6	116.144
O2	S1	O3	106.467	O2	S1	O4	106.466
O3	S1	O4	100.913	O3	C5	H7	110.641
O3	C5	H9	110.391	O3	C5	H10	107.096
O4	C6	H8	107.096	O4	C6	H11	110.391
O4	C6	H12	110.641	H7	C5	H9	109.566
H7	C5	H10	109.487	H8	C6	H11	109.621
H8	C6	H12	109.487	H9	C5	H10	109.621
H11	C6	H12	109.566

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

using model chemistry: LSDA/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	0.972
2	O	-0.524
3	O	-0.464
4	O	-0.464
5	C	-0.257
6	C	-0.257
7	H	0.149
8	H	0.172
9	H	0.176
10	H	0.172
11	H	0.176
12	H	0.149

	x	y	z	Total
	-0.000	2.090	0.480	2.144
CHELPG
AIM
ESP

	x	y	z
x	8.670	0.000	0.000
y	0.000	7.403	-0.041
z	0.000	-0.041	6.180

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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