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	hartrees
Energy at 0K	-664.103045
Energy at 298.15K	-664.108889
HF Energy	-663.134316
Nuclear repulsion energy	315.883964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3126	1.32
2	A	3256	3087	0.97
3	A	3126	2964	2.57
4	A	1590	1507	0.15
5	A	1480	1403	3.25
6	A	1288	1221	28.60
7	A	1210	1147	69.06
8	A	1152	1092	146.56
9	A	1047	993	3.33
10	A	983	931	3.39
11	A	827	783	3.82
12	A	725	687	55.59
13	A	613	581	39.00
14	A	412	391	18.09
15	A	400	380	14.62
16	A	3209	3042	0.11
17	A	1342	1272	256.87
18	A	1083	1027	2.29
19	A	944	895	3.03
20	A	893	846	1.34
21	A	731	693	67.91
22	A	422	400	0.26
23	A	260	247	0.34
24	A	206	195	1.27

Atom	x (Å)	y (Å)	z (Å)
S1	0.065	0.471	0.000
O2	0.065	1.247	1.318
O3	0.065	1.247	-1.318
C4	-1.153	-0.729	0.000
H5	-2.190	-0.662	0.000
C6	-0.300	-1.759	0.000
H7	-0.501	-2.779	0.000
C8	1.026	-1.086	0.000
H9	1.584	-1.294	0.893
H10	1.584	-1.294	-0.893

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.5291	1.5291	1.7099	2.5239	2.2597	3.2989	1.8296	2.4937	2.4937
O2	1.5291		2.6352	2.6690	3.2352	3.3022	4.2737	2.8463	2.9901	3.6944
O3	1.5291	2.6352		2.6690	3.2352	3.3022	4.2737	2.8463	3.6944	2.9901
C4	1.7099	2.6690	2.6690		1.0393	1.3370	2.1512	2.2081	2.9340	2.9340
H5	2.5239	3.2352	3.2352	1.0393		2.1849	2.7081	3.2439	3.9296	3.9296
C6	2.2597	3.3022	3.3022	1.3370	2.1849		1.0396	1.4875	2.1370	2.1370
H7	3.2989	4.2737	4.2737	2.1512	2.7081	1.0396		2.2800	2.7117	2.7117
C8	1.8296	2.8463	2.8463	2.2081	3.2439	1.4875	2.2800		1.0736	1.0736
H9	2.4937	2.9901	3.6944	2.9340	3.9296	2.1370	2.7117	1.0736		1.7866
H10	2.4937	3.6944	2.9901	2.9340	3.9296	2.1370	2.7117	1.0736	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.741	S1	C4	C6	94.955
S1	C8	C6	85.217	S1	C8	H9	115.944
S1	C8	H10	115.944	O2	S1	O3	119.016
O2	S1	C4	110.860	O2	S1	C8	115.582
O3	S1	C4	110.860	O3	S1	C8	115.582
C4	S1	C8	77.113	C4	C6	H7	129.259
C4	C6	C8	102.715	H5	C4	C6	133.304
C6	C8	H9	112.098	C6	C8	H10	112.098
H7	C6	C8	128.026	H9	C8	H10	112.629

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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