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	hartrees
Energy at 0K	-663.921787
Energy at 298.15K	-663.927782
HF Energy	-663.031139
Nuclear repulsion energy	318.372164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3324	3120	1.39
2	A	3285	3084	1.00
3	A	3152	2958	1.43
4	A	1665	1563	1.77
5	A	1518	1425	4.13
6	A	1324	1242	45.86
7	A	1259	1182	73.69
8	A	1195	1122	150.18
9	A	1085	1018	2.99
10	A	999	938	3.60
11	A	875	821	4.70
12	A	786	738	57.20
13	A	658	618	33.78
14	A	441	414	24.35
15	A	427	401	19.31
16	A	3221	3023	0.19
17	A	1396	1310	257.89
18	A	1116	1048	0.85
19	A	975	915	2.83
20	A	920	864	0.07
21	A	743	697	74.27
22	A	445	418	0.92
23	A	266	250	0.46
24	A	213	200	1.69

Atom	x (Å)	y (Å)	z (Å)
S1	0.217	0.447	0.000
O2	0.564	1.087	1.259
O3	0.564	1.087	-1.259
C4	-1.414	-0.273	0.000
H5	-2.397	0.180	0.000
C6	-0.946	-1.528	0.000
H7	-1.489	-2.466	0.000
C8	0.564	-1.351	0.000
H9	1.085	-1.680	0.902
H10	1.085	-1.680	-0.902

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4546	1.4546	1.7825	2.6272	2.2920	3.3762	1.8312	2.4681	2.4681
O2	1.4546		2.5189	2.7105	3.3429	3.2716	4.2926	2.7437	2.8377	3.5494
O3	1.4546	2.5189		2.7105	3.3429	3.2716	4.2926	2.7437	3.5494	2.8377
C4	1.7825	2.7105	2.7105		1.0822	1.3397	2.1947	2.2526	3.0060	3.0060
H5	2.6272	3.3429	3.3429	1.0822		2.2412	2.7975	3.3332	4.0489	4.0489
C6	2.2920	3.2716	3.2716	1.3397	2.2412		1.0843	1.5202	2.2271	2.2271
H7	3.3762	4.2926	4.2926	2.1947	2.7975	1.0843		2.3368	2.8387	2.8387
C8	1.8312	2.7437	2.7437	2.2526	3.3332	1.5202	2.3368		1.0924	1.0924
H9	2.4681	2.8377	3.5494	3.0060	4.0489	2.2271	2.8387	1.0924		1.8046
H10	2.4681	3.5494	2.8377	3.0060	4.0489	2.2271	2.8387	1.0924	1.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.445	S1	C4	C6	93.374
S1	C8	C6	85.762	S1	C8	H9	112.711
S1	C8	H10	112.711	O2	S1	O3	119.957
O2	S1	C4	113.326	O2	S1	C8	112.735
O3	S1	C4	113.326	O3	S1	C8	112.735
C4	S1	C8	77.110	C4	C6	H7	129.466
C4	C6	C8	103.754	H5	C4	C6	135.181
C6	C8	H9	115.988	C6	C8	H10	115.988
H7	C6	C8	126.780	H9	C8	H10	111.371

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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