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	hartrees
Energy at 0K	-663.946608
Energy at 298.15K	-663.952512
HF Energy	-663.029373
Nuclear repulsion energy	317.434830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3121	1.36
2	A	3276	3087	0.93
3	A	3140	2959	1.28
4	A	1613	1520	1.25
5	A	1512	1425	3.67
6	A	1310	1234	37.35
7	A	1241	1169	76.56
8	A	1181	1113	121.11
9	A	1072	1010	1.81
10	A	1003	945	3.67
11	A	854	805	3.71
12	A	763	719	57.24
13	A	640	603	36.78
14	A	428	403	18.90
15	A	412	388	13.08
16	A	3216	3030	0.07
17	A	1384	1304	220.51
18	A	1109	1045	0.95
19	A	965	909	2.64
20	A	908	855	0.32
21	A	736	693	73.18
22	A	434	409	0.95
23	A	257	242	0.48
24	A	210	198	1.49

Atom	x (Å)	y (Å)	z (Å)
S1	0.216	0.448	0.000
O2	0.562	1.089	1.270
O3	0.562	1.089	-1.270
C4	-1.414	-0.272	0.000
H5	-2.401	0.173	0.000
C6	-0.939	-1.529	0.000
H7	-1.485	-2.467	0.000
C8	0.562	-1.355	0.000
H9	1.084	-1.684	0.903
H10	1.084	-1.684	-0.903

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4643	1.4643	1.7818	2.6319	2.2906	3.3756	1.8368	2.4731	2.4731
O2	1.4643		2.5408	2.7148	3.3520	3.2749	4.2955	2.7549	2.8459	3.5617
O3	1.4643	2.5408		2.7148	3.3520	3.2749	4.2955	2.7549	3.5617	2.8459
C4	1.7818	2.7148	2.7148		1.0832	1.3443	2.1967	2.2537	3.0081	3.0081
H5	2.6319	3.3520	3.3520	1.0832		2.2442	2.7950	3.3347	4.0513	4.0513
C6	2.2906	3.2749	3.2749	1.3443	2.2442		1.0849	1.5116	2.2209	2.2209
H7	3.3756	4.2955	4.2955	2.1967	2.7950	1.0849		2.3296	2.8331	2.8331
C8	1.8368	2.7549	2.7549	2.2537	3.3347	1.5116	2.3296		1.0932	1.0932
H9	2.4731	2.8459	3.5617	3.0081	4.0513	2.2209	2.8331	1.0932		1.8052
H10	2.4731	3.5617	2.8459	3.0081	4.0513	2.2209	2.8331	1.0932	1.8052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.917	S1	C4	C6	93.171
S1	C8	C6	85.747	S1	C8	H9	112.669
S1	C8	H10	112.669	O2	S1	O3	120.361
O2	S1	C4	113.143	O2	S1	C8	112.650
O3	S1	C4	113.143	O3	S1	C8	112.650
C4	S1	C8	77.026	C4	C6	H7	129.148
C4	C6	C8	104.056	H5	C4	C6	134.912
C6	C8	H9	116.070	C6	C8	H10	116.070
H7	C6	C8	126.797	H9	C8	H10	111.310

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

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

States and conformations

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