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	hartrees
Energy at 0K	-664.261967
Energy at 298.15K	-664.267851
HF Energy	-663.106223
Nuclear repulsion energy	318.300367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3103	0.71
2	A	3243	3071	0.95
3	A	3118	2953	2.31
4	A	1589	1505	0.93
5	A	1493	1414	6.51
6	A	1289	1221	45.58
7	A	1229	1164	88.22
8	A	1177	1115	129.96
9	A	1051	996	1.26
10	A	991	939	4.01
11	A	841	797	3.74
12	A	749	709	59.66
13	A	635	601	41.77
14	A	426	404	19.38
15	A	416	394	15.03
16	A	3198	3029	0.25
17	A	1385	1312	230.98
18	A	1097	1039	1.31
19	A	955	904	2.36
20	A	887	840	1.07
21	A	707	669	79.06
22	A	421	399	0.74
23	A	265	251	0.53
24	A	205	194	1.23

Atom	x (Å)	y (Å)	z (Å)
S1	0.221	0.453	0.000
O2	0.562	1.081	1.263
O3	0.562	1.081	-1.263
C4	-1.415	-0.268	0.000
H5	-2.400	0.183	0.000
C6	-0.943	-1.527	0.000
H7	-1.494	-2.462	0.000
C8	0.562	-1.355	0.000
H9	1.076	-1.686	0.904
H10	1.076	-1.686	-0.904

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4513	1.4513	1.7872	2.6346	2.2969	3.3818	1.8401	2.4748	2.4748
O2	1.4513		2.5259	2.7058	3.3427	3.2657	4.2867	2.7445	2.8377	3.5524
O3	1.4513	2.5259		2.7058	3.3427	3.2657	4.2867	2.7445	3.5524	2.8377
C4	1.7872	2.7058	2.7058		1.0835	1.3452	2.1960	2.2559	3.0058	3.0058
H5	2.6346	3.3427	3.3427	1.0835		2.2469	2.7963	3.3374	4.0493	4.0493
C6	2.2969	3.2657	3.2657	1.3452	2.2469		1.0849	1.5144	2.2182	2.2182
H7	3.3818	4.2867	4.2867	2.1960	2.7963	1.0849		2.3343	2.8327	2.8327
C8	1.8401	2.7445	2.7445	2.2559	3.3374	1.5144	2.3343		1.0916	1.0916
H9	2.4748	2.8377	3.5524	3.0058	4.0493	2.2182	2.8327	1.0916		1.8081
H10	2.4748	3.5524	2.8377	3.0058	4.0493	2.2182	2.8327	1.0916	1.8081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.644	S1	C4	C6	93.246
S1	C8	C6	85.846	S1	C8	H9	112.651
S1	C8	H10	112.651	O2	S1	O3	120.968
O2	S1	C4	112.929	O2	S1	C8	112.458
O3	S1	C4	112.929	O3	S1	C8	112.458
C4	S1	C8	76.900	C4	C6	H7	128.973
C4	C6	C8	104.008	H5	C4	C6	135.110
C6	C8	H9	115.724	C6	C8	H10	115.724
H7	C6	C8	127.019	H9	C8	H10	111.823

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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