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	hartrees
Energy at 0K	-629.304740
Energy at 298.15K	-629.311781
HF Energy	-629.304740
Nuclear repulsion energy	283.996731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3573	3544	14.19
2	A	3095	3070	21.23
3	A	3006	2982	13.09
4	A	2982	2958	20.56
5	A	2974	2950	38.42
6	A	2956	2932	56.25
7	A	1683	1669	85.05
8	A	1487	1475	5.42
9	A	1482	1470	3.19
10	A	1390	1379	0.31
11	A	1250	1240	0.36
12	A	1243	1233	47.72
13	A	1201	1191	1.02
14	A	1136	1127	194.19
15	A	1117	1108	0.23
16	A	1102	1093	3.34
17	A	995	987	13.96
18	A	950	942	0.30
19	A	881	874	2.23
20	A	861	854	0.10
21	A	735	730	39.30
22	A	731	725	10.67
23	A	679	673	1.68
24	A	571	566	0.09
25	A	469	465	4.35
26	A	459	455	0.48
27	A	408	405	97.65
28	A	366	363	10.84
29	A	223	221	4.06
30	A	86	86	3.45

Atom	x (Å)	y (Å)	z (Å)
S1	-1.568	-0.525	-0.000
C2	0.161	-1.193	0.000
C3	1.067	0.024	-0.000
C4	0.483	1.242	-0.000
C5	-1.030	1.265	0.000
O6	2.403	-0.284	-0.000
H7	0.343	-1.818	0.891
H8	1.043	2.183	-0.000
H9	-1.442	1.773	-0.889
H10	0.343	-1.819	-0.890
H11	-1.441	1.773	0.890
H12	2.927	0.541	0.003

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8535	2.6916	2.7072	1.8692	3.9783	2.4737	3.7617	2.4669	2.4736	2.4670	4.6198
C2	1.8535		1.5179	2.4566	2.7319	2.4199	1.1030	3.4898	3.4869	1.1030	3.4864	3.2653
C3	2.6916	1.5179		1.3505	2.4369	1.3709	2.1709	2.1589	3.1849	2.1710	3.1845	1.9306
C4	2.7072	2.4566	1.3505		1.5135	2.4521	3.1905	1.0950	2.1860	3.1907	2.1860	2.5424
C5	1.8692	2.7319	2.4369	1.5135		3.7663	3.4911	2.2672	1.1039	3.4916	1.1039	4.0229
O6	3.9783	2.4199	1.3709	2.4521	3.7663		2.7191	2.8164	4.4499	2.7190	4.4496	0.9772
H7	2.4737	1.1030	2.1709	3.1905	3.4911	2.7191		4.1588	4.3877	1.7803	4.0098	3.6103
H8	3.7617	3.4898	2.1589	1.0950	2.2672	2.8164	4.1588		2.6709	4.1590	2.6712	2.4989
H9	2.4669	3.4869	3.1849	2.1860	1.1039	4.4499	4.3877	2.6709		4.0109	1.7798	4.6261
H10	2.4736	1.1030	2.1710	3.1907	3.4916	2.7190	1.7803	4.1590	4.0109		4.3876	3.6117
H11	2.4670	3.4864	3.1845	2.1860	1.1039	4.4496	4.0098	2.6712	1.7798	4.3876		4.6247
H12	4.6198	3.2653	1.9306	2.5424	4.0229	0.9772	3.6103	2.4989	4.6261	3.6117	4.6247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	105.517	S1	C2	H7	111.024
S1	C2	H10	111.014	S1	C5	C4	105.841
S1	C5	H9	109.433	S1	C5	H11	109.440
C2	S1	C5	94.420	C2	C3	C4	117.723
C2	C3	O6	113.697	C3	C2	H7	110.856
C3	C2	H10	110.863	C3	C4	C5	116.499
C3	C4	H8	123.629	C3	O6	H12	109.470
C4	C3	O6	128.581	C4	C5	H9	112.324
C4	C5	H11	112.326	C5	C4	H8	119.871
H7	C2	H10	107.609	H9	C5	H11	107.443

All results from a given calculation for C₄H₆OS (2,5-dihydrothiophene-3-ol)

using model chemistry: BLYP/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	0.066
2	C	-0.430
3	C	0.333
4	C	-0.138
5	C	-0.414
6	O	-0.575
7	H	0.173
8	H	0.098
9	H	0.162
10	H	0.173
11	H	0.162
12	H	0.390

	x	y	z	Total
	1.992	1.813	0.001	2.693
CHELPG
AIM
ESP

	x	y	z
x	10.469	-0.536	0.000
y	-0.536	10.341	0.000
z	0.000	0.000	5.498

<r²>	194.720
(<r²>)^1/2	13.954

All results from a given calculation for C4H6OS (2,5-dihydrothiophene-3-ol)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₆OS (2,5-dihydrothiophene-3-ol)