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	hartrees
Energy at 0K	-628.499286
Energy at 298.15K	-628.506637
HF Energy	-627.431749
Nuclear repulsion energy	296.799391

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3833	3647	46.43
2	A	3264	3106	4.12
3	A	3237	3080	0.33
4	A	3146	2994	4.40
5	A	3106	2955	29.02
6	A	3070	2921	10.67
7	A	1613	1535	8.03
8	A	1463	1393	5.49
9	A	1391	1324	7.29
10	A	1346	1281	4.83
11	A	1327	1262	24.06
12	A	1292	1230	48.92
13	A	1224	1165	30.64
14	A	1188	1130	17.26
15	A	1120	1066	1.43
16	A	1067	1015	73.95
17	A	1022	972	7.07
18	A	951	905	21.93
19	A	920	875	0.67
20	A	889	846	29.79
21	A	827	786	19.95
22	A	791	753	20.82
23	A	689	656	34.09
24	A	661	629	16.18
25	A	573	545	0.75
26	A	430	409	6.92
27	A	377	359	6.04
28	A	354	337	12.31
29	A	230	219	123.50
30	A	150	143	0.93

Atom	x (Å)	y (Å)	z (Å)
S1	-0.439	-1.242	0.224
C2	0.933	-0.033	0.411
C3	0.269	1.332	0.532
C4	-1.014	1.264	-0.241
C5	-1.470	0.021	-0.432
O6	1.760	0.006	-0.729
H7	1.490	-0.320	1.303
H8	0.960	2.082	0.148
H9	-1.543	2.146	-0.569
H10	-2.389	-0.256	-0.925
H11	0.066	1.558	1.582
H12	2.044	-0.895	-0.918

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8383	2.6877	2.6124	1.7575	2.7023	2.3951	3.6074	3.6503	2.4683	3.1530	2.7546
C2	1.8383		1.5233	2.4281	2.5470	1.4087	1.0901	2.1316	3.4408	3.5873	2.1580	1.9342
C3	2.6877	1.5233		1.4990	2.3817	2.3611	2.1944	1.0897	2.2712	3.4220	1.0931	3.1958
C4	2.6124	2.4281	1.4990		1.3374	3.0845	3.3406	2.1717	1.0799	2.1610	2.1392	3.8030
C5	1.7575	2.5470	2.3817	1.3374		3.2436	3.4480	3.2386	2.1301	1.0790	2.9631	3.6629
O6	2.7023	1.4087	2.3611	3.0845	3.2436		2.0752	2.3919	3.9391	4.1621	3.2592	0.9630
H7	2.3951	1.0901	2.1944	3.3406	3.4480	2.0752		2.7174	4.3342	4.4736	2.3737	2.3598
H8	3.6074	2.1316	1.0897	2.1717	3.2386	2.3919	2.7174		2.6048	4.2232	1.7693	3.3428
H9	3.6503	3.4408	2.2712	1.0799	2.1301	3.9391	4.3342	2.6048		2.5712	2.7503	4.7148
H10	2.4683	3.5873	3.4220	2.1610	1.0790	4.1621	4.4736	4.2232	2.5712		3.9502	4.4781
H11	3.1530	2.1580	1.0931	2.1392	2.9631	3.2592	2.3737	1.7693	2.7503	3.9502		4.0225
H12	2.7546	1.9342	3.1958	3.8030	3.6629	0.9630	2.3598	3.3428	4.7148	4.4781	4.0225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.789	S1	C2	O6	111.982
S1	C2	H7	106.950	S1	C5	C4	114.472
S1	C5	H10	119.016	C2	S1	C5	90.169
C2	C3	C4	106.909	C2	C3	H8	108.184
C2	C3	H11	110.048	C2	O6	H12	107.806
C3	C2	O6	107.211	C3	C2	H7	113.170
C3	C4	C5	114.092	C3	C4	H9	122.624
C4	C3	H8	113.101	C4	C3	H11	110.253
C4	C5	H10	126.505	C5	C4	H9	123.217
O6	C2	H7	111.659	H8	C3	H11	108.307

All results from a given calculation for C₄H₆OS (2,3-dihydrothiophene-2-ol)

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 C4H6OS (2,3-dihydrothiophene-2-ol)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₆OS (2,3-dihydrothiophene-2-ol)