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	hartrees
Energy at 0K	-660.372102
Energy at 298.15K	-660.378006
HF Energy	-659.724414
Nuclear repulsion energy	315.249038

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3140	0.31
2	A	3269	3110	0.44
3	A	3131	2979	1.71
4	A	1558	1482	3.81
5	A	1527	1452	2.65
6	A	1315	1251	19.34
7	A	1235	1175	106.30
8	A	1180	1123	71.98
9	A	1099	1046	1.67
10	A	929	883	4.16
11	A	839	798	0.65
12	A	714	679	77.78
13	A	627	596	48.67
14	A	427	407	10.02
15	A	404	384	5.99
16	A	3204	3048	0.73
17	A	1420	1351	172.15
18	A	1128	1074	1.15
19	A	958	911	3.01
20	A	925	880	0.47
21	A	766	729	87.69
22	A	435	414	0.73
23	A	264	251	0.43
24	A	213	202	1.70

Atom	x (Å)	y (Å)	z (Å)
S1	-0.020	0.508	0.000
O2	-0.020	1.239	1.267
O3	-0.020	1.239	-1.267
C4	-1.125	-0.919	0.000
H5	-2.201	-1.011	0.000
C6	-0.116	-1.823	0.000
H7	-0.153	-2.903	0.000
C8	1.152	-0.935	0.000
H9	1.759	-0.989	0.906
H10	1.759	-0.989	-0.906

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4629	1.4629	1.8049	2.6581	2.3330	3.4134	1.8584	2.4952	2.4952
O2	1.4629		2.5342	2.7358	3.3803	3.3154	4.3335	2.7755	2.8737	3.5849
O3	1.4629	2.5342		2.7358	3.3803	3.3154	4.3335	2.7755	3.5849	2.8737
C4	1.8049	2.7358	2.7358		1.0801	1.3547	2.2095	2.2771	3.0242	3.0242
H5	2.6581	3.3803	3.3803	1.0801		2.2376	2.7888	3.3541	4.0629	4.0629
C6	2.3330	3.3154	3.3154	1.3547	2.2376		1.0804	1.5486	2.2440	2.2440
H7	3.4134	4.3335	4.3335	2.2095	2.7888	1.0804		2.3614	2.8532	2.8532
C8	1.8584	2.7755	2.7755	2.2771	3.3541	1.5486	2.3614		1.0923	1.0923
H9	2.4952	2.8737	3.5849	3.0242	4.0629	2.2440	2.8532	1.0923		1.8126
H10	2.4952	3.5849	2.8737	3.0242	4.0629	2.2440	2.8532	1.0923	1.8126

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	132.641	S1	C4	C6	94.106
S1	C8	C6	85.928	S1	C8	H9	112.891
S1	C8	H10	112.891	O2	S1	O3	120.027
O2	S1	C4	113.273	O2	S1	C8	112.826
O3	S1	C4	113.273	O3	S1	C8	112.826
C4	S1	C8	76.851	C4	C6	H7	129.945
C4	C6	C8	103.115	H5	C4	C6	133.253
C6	C8	H9	115.272	C6	C8	H10	115.272
H7	C6	C8	126.940	H9	C8	H10	112.141

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

using model chemistry: MP2/3-21G*

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

using model chemistry: MP2/3-21G*

States and conformations

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