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	hartrees
Energy at 0K	-663.944301
Energy at 298.15K	-663.950206
HF Energy	-663.036386
Nuclear repulsion energy	317.265450

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3336	3124	1.10
2	A	3301	3092	1.03
3	A	3163	2963	2.03
4	A	1615	1512	0.86
5	A	1510	1414	2.30
6	A	1315	1231	33.14
7	A	1237	1158	71.62
8	A	1176	1102	124.06
9	A	1074	1006	2.68
10	A	1002	938	3.10
11	A	850	796	4.35
12	A	759	711	56.49
13	A	638	597	37.56
14	A	427	399	18.74
15	A	409	383	13.05
16	A	3245	3039	0.30
17	A	1379	1291	218.56
18	A	1105	1035	1.12
19	A	962	901	2.79
20	A	908	850	0.65
21	A	735	688	66.61
22	A	430	403	0.61
23	A	254	238	0.44
24	A	208	195	1.60

Atom	x (Å)	y (Å)	z (Å)
S1	0.217	0.449	0.000
O2	0.562	1.090	1.272
O3	0.562	1.090	-1.272
C4	-1.414	-0.272	0.000
H5	-2.398	0.171	0.000
C6	-0.940	-1.531	0.000
H7	-1.486	-2.464	0.000
C8	0.562	-1.357	0.000
H9	1.080	-1.685	0.900
H10	1.080	-1.685	-0.900

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4652	1.4652	1.7837	2.6302	2.2935	3.3742	1.8395	2.4721	2.4721
O2	1.4652		2.5436	2.7164	3.3510	3.2775	4.2941	2.7579	2.8469	3.5615
O3	1.4652	2.5436		2.7164	3.3510	3.2775	4.2941	2.7579	3.5615	2.8469
C4	1.7837	2.7164	2.7164		1.0790	1.3454	2.1930	2.2552	3.0051	3.0051
H5	2.6302	3.3510	3.3510	1.0790		2.2411	2.7880	3.3319	4.0442	4.0442
C6	2.2935	3.2775	3.2775	1.3454	2.2411		1.0807	1.5123	2.2171	2.2171
H7	3.3742	4.2941	4.2941	2.1930	2.7880	1.0807		2.3278	2.8287	2.8287
C8	1.8395	2.7579	2.7579	2.2552	3.3319	1.5123	2.3278		1.0890	1.0890
H9	2.4721	2.8469	3.5615	3.0051	4.0442	2.2171	2.8287	1.0890		1.8005
H10	2.4721	3.5615	2.8469	3.0051	4.0442	2.2171	2.8287	1.0890	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.937	S1	C4	C6	93.206
S1	C8	C6	85.765	S1	C8	H9	112.624
S1	C8	H10	112.624	O2	S1	O3	120.456
O2	S1	C4	113.101	O2	S1	C8	112.641
O3	S1	C4	113.101	O3	S1	C8	112.641
C4	S1	C8	76.970	C4	C6	H7	129.025
C4	C6	C8	104.059	H5	C4	C6	134.856
C6	C8	H9	115.975	C6	C8	H10	115.975
H7	C6	C8	126.917	H9	C8	H10	111.512

All results from a given calculation for C₃H₄O₂S (2H-Thiete-1,1-dioxide)

using model chemistry: MP2/6-31G**

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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All results from a given calculation for C3H4O2S (2H-Thiete-1,1-dioxide)

using model chemistry: MP2/6-31G**

States and conformations

All results from a given calculation for C₃H₄O₂S (2H-Thiete-1,1-dioxide)