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	hartrees
Energy at 0K	-627.138074
Energy at 298.15K	-627.145191
Nuclear repulsion energy	290.310547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3739	3669	54.01
2	A	3195	3135	6.48
3	A	3092	3035	3.95
4	A	3009	2953	25.36
5	A	2990	2935	7.51
6	A	2934	2879	36.25
7	A	1715	1683	41.78
8	A	1421	1395	13.05
9	A	1402	1376	4.64
10	A	1371	1345	142.67
11	A	1273	1250	22.99
12	A	1239	1216	33.63
13	A	1224	1202	8.64
14	A	1155	1134	8.39
15	A	1122	1101	69.04
16	A	1101	1081	25.86
17	A	1004	985	0.42
18	A	973	955	2.66
19	A	909	892	22.24
20	A	823	808	25.20
21	A	804	789	3.62
22	A	752	738	32.48
23	A	683	671	1.90
24	A	542	532	2.22
25	A	494	485	2.57
26	A	436	428	11.88
27	A	371	365	7.40
28	A	285	280	88.50
29	A	235	230	18.50
30	A	173	170	3.98

Atom	x (Å)	y (Å)	z (Å)
S1	-1.551	-0.526	-0.090
C2	0.094	-1.120	0.083
C3	1.027	-0.157	0.020
C4	0.481	1.215	-0.225
C5	-0.955	1.168	0.254
O6	2.357	-0.392	0.023
H7	0.289	-2.189	0.175
H8	1.050	2.003	0.306
H9	-1.614	1.895	-0.243
H10	0.538	1.444	-1.311
H11	-0.999	1.325	1.346
H12	2.818	0.448	0.200

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7574	2.6062	2.6789	1.8284	3.9117	2.4942	3.6492	2.4271	3.1203	2.4067	4.4852
C2	1.7574		1.3422	2.3864	2.5225	2.3776	1.0908	3.2733	3.4805	2.9520	2.9608	3.1446
C3	2.6062	1.3422		1.4962	2.3950	1.3510	2.1679	2.1784	3.3543	2.1380	2.8386	1.8988
C4	2.6789	2.3864	1.4962		1.5141	2.4829	3.4327	1.1075	2.2023	1.1111	2.1610	2.4962
C5	1.8284	2.5225	2.3950	1.5141		3.6683	3.5808	2.1724	1.0999	2.1802	1.1041	3.8413
O6	3.9117	2.3776	1.3510	2.4829	3.6683		2.7436	2.7434	4.5903	2.9086	3.9955	0.9743
H7	2.4942	1.0908	2.1679	3.4327	3.5808	2.7436		4.2624	4.5252	3.9335	3.9213	3.6534
H8	3.6492	3.2733	2.1784	1.1075	2.1724	2.7434	4.2624		2.7217	1.7850	2.3960	2.3571
H9	2.4271	3.4805	3.3543	2.2023	1.0999	4.5903	4.5252	2.7217		2.4442	1.7962	4.6830
H10	3.1203	2.9520	2.1380	1.1111	2.1802	2.9086	3.9335	1.7850	2.4442		3.0715	2.9106
H11	2.4067	2.9608	2.8386	2.1610	1.1041	3.9955	3.9213	2.3960	1.7962	3.0715		4.0809
H12	4.4852	3.1446	1.8988	2.4962	3.8413	0.9743	3.6534	2.3571	4.6830	2.9106	4.0809

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	113.784	S1	C2	H7	120.445
S1	C5	C4	106.157	S1	C5	H9	109.427
S1	C5	H11	107.739	C2	S1	C5	89.390
C2	C3	C4	114.327	C2	C3	O6	123.967
C3	C2	H7	125.687	C3	C4	C5	105.419
C3	C4	H8	112.725	C3	C4	H10	109.285
C3	O6	H12	108.398	C4	C3	C5	37.551
C4	C5	H9	113.869	C4	C5	H11	110.272
C5	C4	H8	110.966	C5	C4	H10	111.368
H8	C4	H10	107.135	H9	C5	H11	109.172

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-3-ol)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	0.132
2	C	-0.328
3	C	0.310
4	C	-0.329
5	C	-0.426
6	O	-0.501
7	H	0.151
8	H	0.135
9	H	0.171
10	H	0.167
11	H	0.181
12	H	0.336

	x	y	z	Total
	1.624	2.780	0.472	3.254
CHELPG
AIM
ESP

	x	y	z
x	11.009	0.969	0.129
y	0.969	9.557	-0.052
z	0.129	-0.052	5.804

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6OS (4,5-dihydrothiophene-3-ol)

using model chemistry: LSDA/6-31G**

States and conformations

All results from a given calculation for C₄H₆OS (4,5-dihydrothiophene-3-ol)