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	hartrees
Energy at 0K	-664.357759
Energy at 298.15K	-664.363718
HF Energy	-663.220292
Nuclear repulsion energy	320.685449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3129	1.11
2	A'	3251	3093	0.76
3	A'	3119	2968	1.98
4	A'	1580	1503	0.78
5	A'	1463	1392	4.73
6	A'	1288	1225	52.49
7	A'	1230	1170	163.82
8	A'	1179	1122	24.22
9	A'	1048	998	0.32
10	A'	984	936	4.96
11	A'	849	808	3.76
12	A'	754	718	49.04
13	A'	639	608	40.22
14	A'	439	418	14.81
15	A'	427	406	14.20
16	A"	3197	3042	0.01
17	A"	1407	1339	220.52
18	A"	1090	1037	1.37
19	A"	951	905	2.94
20	A"	917	872	1.86
21	A"	725	689	57.87
22	A"	433	412	1.16
23	A"	274	260	0.29
24	A"	207	197	0.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.218	0.445	0.000
O2	0.561	1.082	1.253
O3	0.561	1.082	-1.253
C4	-1.412	-0.262	0.000
H5	-2.392	0.186	0.000
C6	-0.939	-1.517	0.000
H7	-1.488	-2.448	0.000
C8	0.561	-1.355	0.000
H9	1.076	-1.679	0.901
H10	1.076	-1.679	-0.901

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4465	1.4465	1.7773	2.6230	2.2785	3.3583	1.8324	2.4622	2.4622
O2	1.4465		2.5058	2.6965	3.3307	3.2522	4.2689	2.7397	2.8307	3.5394
O3	1.4465	2.5058		2.6965	3.3307	3.2522	4.2689	2.7397	3.5394	2.8307
C4	1.7773	2.6965	2.6965		1.0776	1.3411	2.1865	2.2557	3.0022	3.0022
H5	2.6230	3.3307	3.3307	1.0776		2.2388	2.7847	3.3311	4.0401	4.0401
C6	2.2785	3.2522	3.2522	1.3411	2.2388		1.0797	1.5095	2.2140	2.2140
H7	3.3583	4.2689	4.2689	2.1865	2.7847	1.0797		2.3221	2.8242	2.8242
C8	1.8324	2.7397	2.7397	2.2557	3.3311	1.5095	2.3221		1.0873	1.0873
H9	2.4622	2.8307	3.5394	3.0022	4.0401	2.2140	2.8242	1.0873		1.8016
H10	2.4622	3.5394	2.8307	3.0022	4.0401	2.2140	2.8242	1.0873	1.8016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.945	S1	C4	C6	92.816
S1	C8	C6	85.392	S1	C8	H9	112.459
S1	C8	H10	112.459	O2	S1	O3	120.022
O2	S1	C4	113.127	O2	S1	C8	112.814
O3	S1	C4	113.127	O3	S1	C8	112.814
C4	S1	C8	77.332	C4	C6	H7	128.844
C4	C6	C8	104.460	H5	C4	C6	135.239
C6	C8	H9	116.035	C6	C8	H10	116.035
H7	C6	C8	126.696	H9	C8	H10	111.879

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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