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	hartrees
Energy at 0K	-697.574880
Energy at 298.15K	-697.583014
Nuclear repulsion energy	350.515090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3043	2.02
2	A	3097	3041	12.56
3	A	3039	2984	8.91
4	A	3038	2983	11.56
5	A	2963	2910	41.23
6	A	2961	2908	8.03
7	A	1518	1491	0.93
8	A	1499	1472	29.35
9	A	1491	1464	26.39
10	A	1474	1447	1.69
11	A	1415	1390	24.69
12	A	1396	1371	3.83
13	A	1172	1151	88.83
14	A	1126	1106	4.47
15	A	1123	1103	4.75
16	A	1105	1085	3.82
17	A	1105	1085	0.15
18	A	975	958	100.72
19	A	955	938	88.26
20	A	693	681	77.12
21	A	686	674	204.78
22	A	584	573	8.05
23	A	472	463	0.17
24	A	334	328	13.31
25	A	311	306	14.36
26	A	308	302	21.41
27	A	208	204	0.41
28	A	160	157	0.67
29	A	127	125	2.43
30	A	69	68	0.82

Atom	x (Å)	y (Å)	z (Å)
S1	-0.000	-0.897	-0.260
O2	-0.000	-0.890	1.225
O3	1.286	0.043	-0.719
O4	-1.285	0.043	-0.719
C5	1.681	1.073	0.247
C6	-1.682	1.073	0.247
H7	1.195	2.036	0.006
H8	-2.774	1.175	0.176
H9	1.386	0.744	1.261
H10	2.774	1.175	0.176
H11	-1.386	0.743	1.261
H12	-1.195	2.036	0.007

	S1	O2	O3	O4	C5	C6	H7	H8	H9	H10	H11	H12
S1		1.4848	1.6576	1.6576	2.6396	2.6396	3.1782	3.4897	2.6316	3.4899	2.6317	3.1782
O2	1.4848		2.5106	2.5106	2.7642	2.7641	3.3876	3.6140	2.1428	3.6140	2.1427	3.3874
O3	1.6576	2.5106		2.5711	1.4667	3.2862	2.1226	4.3085	2.1026	2.0731	3.3984	3.2634
O4	1.6576	2.5106	2.5711		3.2859	1.4667	3.2630	2.0730	3.3980	4.3083	2.1027	2.1226
C5	2.6396	2.7642	1.4667	3.2859		3.3631	1.1051	4.4573	1.1067	1.0995	3.2478	3.0424
C6	2.6396	2.7641	3.2862	1.4667	3.3631		3.0426	1.0995	3.2474	4.4573	1.1067	1.1051
H7	3.1782	3.3876	2.1226	3.2630	1.1051	3.0426		4.0646	1.8115	1.8068	3.1474	2.3894
H8	3.4897	3.6140	4.3085	2.0730	4.4573	1.0995	4.0646		4.3206	5.5481	1.8140	1.8068
H9	2.6316	2.1428	2.1026	3.3980	1.1067	3.2474	1.8115	4.3206		1.8140	2.7719	3.1468
H10	3.4899	3.6140	2.0731	4.3083	1.0995	4.4573	1.8068	5.5481	1.8140		4.3209	4.0646
H11	2.6317	2.1427	3.3984	2.1027	3.2478	1.1067	3.1474	1.8140	2.7719	4.3209		1.8114
H12	3.1782	3.3874	3.2634	2.1226	3.0424	1.1051	2.3894	1.8068	3.1468	4.0646	1.8114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	O3	C5	115.177	S1	O4	C6	115.182
O2	S1	O3	105.923	O2	S1	O4	105.927
O3	S1	O4	101.708	O3	C5	H7	110.453
O3	C5	H9	108.778	O3	C5	H10	106.895
O4	C6	H8	106.894	O4	C6	H11	108.783
O4	C6	H12	110.459	H7	C5	H9	109.971
H7	C5	H10	110.080	H8	C6	H11	110.617
H8	C6	H12	110.079	H9	C5	H10	110.612
H11	C6	H12	109.958

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

using model chemistry: LSDA/3-21G*

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	0.905
2	O	-0.449
3	O	-0.452
4	O	-0.452
5	C	-0.493
6	C	-0.493
7	H	0.226
8	H	0.252
9	H	0.238
10	H	0.252
11	H	0.238
12	H	0.226

	x	y	z	Total
	-0.001	2.267	0.710	2.375
CHELPG
AIM
ESP

	x	y	z
x	7.917	0.000	0.000
y	0.000	6.734	-0.017
z	0.000	-0.017	5.379

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/3-21G*

States and conformations

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