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	hartrees
Energy at 0K	-628.187953
Energy at 298.15K	-628.195387
HF Energy	-627.304474
Nuclear repulsion energy	292.012541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3804	3570	46.55
2	A	3253	3053	7.88
3	A	3207	3009	9.87
4	A	3149	2954	35.89
5	A	3136	2943	5.68
6	A	3080	2890	38.82
7	A	1766	1657	120.54
8	A	1562	1465	0.32
9	A	1541	1446	2.87
10	A	1439	1350	12.10
11	A	1390	1304	15.50
12	A	1355	1271	8.11
13	A	1311	1230	25.05
14	A	1235	1159	2.53
15	A	1198	1124	10.20
16	A	1196	1122	201.30
17	A	1081	1014	11.37
18	A	1043	979	12.24
19	A	964	904	11.28
20	A	903	848	1.58
21	A	750	704	47.90
22	A	729	684	4.06
23	A	707	663	10.54
24	A	647	607	5.44
25	A	542	509	0.78
26	A	487	457	3.52
27	A	370	347	9.68
28	A	339	318	115.09
29	A	265	248	9.42
30	A	169	158	2.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.063	-1.269	-0.112
C2	-0.851	0.247	0.017
C3	-0.120	1.368	0.016
C4	1.356	1.124	-0.163
C5	1.597	-0.339	0.258
O6	-2.196	0.088	0.080
H7	-0.546	2.366	0.065
H8	1.966	1.794	0.452
H9	1.794	-0.404	1.331
H10	1.653	1.281	-1.209
H11	2.428	-0.796	-0.283
H12	-2.616	0.960	0.034

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7747	2.6458	2.7204	1.8317	2.6420	3.6897	3.6500	2.4136	3.1987	2.4177	3.4879
C2	1.7747		1.3380	2.3818	2.5293	1.3552	2.1416	3.2434	3.0246	2.9735	3.4538	1.9035
C3	2.6458	1.3380		1.5065	2.4336	2.4388	1.0865	2.1734	2.9212	2.1566	3.3558	2.5290
C4	2.7204	2.3818	1.5065		1.5419	3.7074	2.2824	1.0952	2.1816	1.0986	2.2023	3.9801
C5	1.8317	2.5293	2.4336	1.5419		3.8212	3.4568	2.1741	1.0928	2.1861	1.0910	4.4149
O6	2.6420	1.3552	2.4388	3.7074	3.8212		2.8126	4.5129	4.2100	4.2301	4.7212	0.9687
H7	3.6897	2.1416	1.0865	2.2824	3.4568	2.8126		2.6046	3.8409	2.7628	4.3543	2.5030
H8	3.6500	3.2434	2.1734	1.0952	2.1741	4.5129	2.6046		2.3741	1.7665	2.7320	4.6759
H9	2.4136	3.0246	2.9212	2.1816	1.0928	4.2100	3.8409	2.3741		3.0511	1.7773	4.7949
H10	3.1987	2.9735	2.1566	1.0986	2.1861	4.2301	2.7628	1.7665	3.0511		2.4021	4.4578
H11	2.4177	3.4538	3.3558	2.2023	1.0910	4.7212	4.3543	2.7320	1.7773	2.4021		5.3501
H12	3.4879	1.9035	2.5290	3.9801	4.4149	0.9687	2.5030	4.6759	4.7949	4.4578	5.3501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	115.712	S1	C2	O6	114.487
S1	C5	C4	107.178	S1	C5	H9	108.590
S1	C5	H11	108.980	C2	S1	C5	89.054
C2	C3	C4	113.584	C2	C3	H7	123.763
C2	O6	H12	108.851	C3	C2	O6	129.792
C3	C4	C5	105.933	C3	C4	H8	112.350
C3	C4	H10	110.775	C4	C3	H7	122.510
C4	C5	H9	110.638	C4	C5	H11	112.412
C5	C4	H8	109.910	C5	C4	H10	110.648
H8	C4	H10	107.266	H9	C5	H11	108.951

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-2-ol)

using model chemistry: MP3=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 C4H6OS (4,5-dihydrothiophene-2-ol)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-2-ol)