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	hartrees
Energy at 0K	-60.823209
Energy at 298.15K	-60.828993
HF Energy	-59.974034
Nuclear repulsion energy	121.214995

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3274	3109	0.62
2	A	3234	3070	1.46
3	A	3125	2967	7.33
4	A	1583	1503	0.26
5	A	1488	1413	3.83
6	A	1274	1210	44.21
7	A	1212	1150	39.66
8	A	1147	1089	168.79
9	A	1034	981	2.69
10	A	985	936	3.24
11	A	831	789	4.75
12	A	742	704	49.81
13	A	624	592	31.91
14	A	417	395	17.77
15	A	404	383	15.68
16	A	3219	3056	2.24
17	A	1326	1258	258.35
18	A	1084	1029	1.45
19	A	945	898	2.72
20	A	885	841	0.72
21	A	722	685	91.38
22	A	415	394	0.89
23	A	260	247	0.38
24	A	196	186	1.39

Atom	x (Å)	y (Å)	z (Å)
S1	0.246	0.531	0.000
O2	0.596	1.178	1.285
O3	0.596	1.178	-1.285
C4	-1.413	-0.195	0.000
H5	-2.406	0.263	0.000
C6	-0.927	-1.480	0.000
H7	-1.480	-2.425	0.000
C8	0.596	-1.300	0.000
H9	1.117	-1.627	0.915
H10	1.117	-1.627	-0.915

	S1	O2	O3	C4	H5	C6	H7	C8	H9	H10
S1		1.4807	1.4807	1.8108	2.6651	2.3286	3.4235	1.8646	2.5010	2.5010
O2	1.4807		2.5707	2.7519	3.3913	3.3221	4.3524	2.7911	2.8764	3.6027
O3	1.4807	2.5707		2.7519	3.3913	3.3221	4.3524	2.7911	3.6027	2.8764
C4	1.8108	2.7519	2.7519		1.0934	1.3742	2.2310	2.2929	3.0476	3.0476
H5	2.6651	3.3913	3.3913	1.0934		2.2862	2.8428	3.3845	4.1010	4.1010
C6	2.3286	3.3221	3.3221	1.3742	2.2862		1.0949	1.5337	2.2440	2.2440
H7	3.4235	4.3524	4.3524	2.2310	2.8428	1.0949		2.3618	2.8671	2.8671
C8	1.8646	2.7911	2.7911	2.2929	3.3845	1.5337	2.3618		1.1026	1.1026
H9	2.5010	2.8764	3.6027	3.0476	4.1010	2.2440	2.8671	1.1026		1.8305
H10	2.5010	3.6027	2.8764	3.0476	4.1010	2.2440	2.8671	1.1026	1.8305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C4	H5	131.582	S1	C4	C6	92.935
S1	C8	C6	85.924	S1	C8	H9	112.337
S1	C8	H10	112.337	O2	S1	O3	120.474
O2	S1	C4	113.069	O2	S1	C8	112.590
O3	S1	C4	113.069	O3	S1	C8	112.590
C4	S1	C8	77.180	C4	C6	H7	128.910
C4	C6	C8	103.962	H5	C4	C6	135.483
C6	C8	H9	115.723	C6	C8	H10	115.723
H7	C6	C8	127.128	H9	C8	H10	112.217

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

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

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