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	hartrees
Energy at 0K	-627.226601
Energy at 298.15K	-627.233765
Nuclear repulsion energy	290.978056

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3745	3699	76.69
2	A	3171	3132	6.41
3	A	3072	3034	4.21
4	A	2989	2952	29.64
5	A	2972	2936	6.20
6	A	2911	2875	40.04
7	A	1696	1675	45.02
8	A	1401	1384	18.95
9	A	1383	1366	7.64
10	A	1356	1339	154.31
11	A	1268	1252	21.06
12	A	1238	1223	36.54
13	A	1216	1201	6.34
14	A	1151	1136	9.49
15	A	1116	1102	58.00
16	A	1099	1086	31.24
17	A	999	986	0.59
18	A	968	956	5.11
19	A	908	897	21.95
20	A	817	807	26.46
21	A	803	793	6.38
22	A	747	737	35.74
23	A	678	670	2.06
24	A	542	535	2.48
25	A	496	490	3.80
26	A	440	434	15.23
27	A	371	366	8.02
28	A	288	285	93.41
29	A	238	235	10.72
30	A	183	181	5.00

Atom	x (Å)	y (Å)	z (Å)
S1	-1.549	-0.522	-0.094
C2	0.095	-1.116	0.088
C3	1.024	-0.157	0.023
C4	0.476	1.209	-0.232
C5	-0.949	1.163	0.264
O6	2.353	-0.389	0.023
H7	0.287	-2.184	0.182
H8	1.052	2.001	0.282
H9	-1.612	1.897	-0.214
H10	0.518	1.418	-1.321
H11	-0.975	1.298	1.358
H12	2.814	0.450	0.184

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7572	2.6017	2.6679	1.8248	3.9061	2.4911	3.6432	2.4229	3.0894	2.3987	4.4785
C2	1.7572		1.3369	2.3773	2.5132	2.3731	1.0890	3.2662	3.4757	2.9302	2.9301	3.1391
C3	2.6017	1.3369		1.4935	2.3869	1.3490	2.1626	2.1737	3.3504	2.1316	2.8102	1.8966
C4	2.6679	2.3773	1.4935		1.5101	2.4781	3.4228	1.1056	2.1989	1.1101	2.1543	2.4923
C5	1.8248	2.5132	2.3869	1.5101		3.6573	3.5690	2.1695	1.0980	2.1753	1.1024	3.8310
O6	3.9061	2.3731	1.3490	2.4781	3.6573		2.7414	2.7340	4.5832	2.9051	3.9632	0.9711
H7	2.4911	1.0890	2.1626	3.4228	3.5690	2.7414		4.2553	4.5180	3.9097	3.8859	3.6503
H8	3.6432	3.2662	2.1737	1.1056	2.1695	2.7340	4.2553		2.7117	1.7869	2.3999	2.3492
H9	2.4229	3.4757	3.3504	2.1989	1.0980	4.5832	4.5180	2.7117		2.4481	1.7987	4.6732
H10	3.0894	2.9302	2.1316	1.1101	2.1753	2.9051	3.9097	1.7869	2.4481		3.0694	2.9104
H11	2.3987	2.9301	2.8102	2.1543	1.1024	3.9632	3.8859	2.3999	1.7987	3.0694		4.0561
H12	4.4785	3.1391	1.8966	2.4923	3.8310	0.9711	3.6503	2.3492	4.6732	2.9104	4.0561

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	113.772	S1	C2	H7	120.319
S1	C5	C4	105.871	S1	C5	H9	109.458
S1	C5	H11	107.479	C2	S1	C5	89.097
C2	C3	C4	114.149	C2	C3	O6	124.148
C3	C2	H7	125.806	C3	C4	C5	105.246
C3	C4	H8	112.658	C3	C4	H10	109.021
C3	O6	H12	108.562	C4	C3	C5	37.619
C4	C5	H9	114.007	C4	C5	H11	110.114
C5	C4	H8	111.129	C5	C4	H10	111.317
H8	C4	H10	107.503	H9	C5	H11	109.657

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

using model chemistry: LSDA/6-311G**

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	0.163
2	C	-0.309
3	C	0.116
4	C	-0.333
5	C	-0.497
6	O	-0.315
7	H	0.167
8	H	0.160
9	H	0.199
10	H	0.186
11	H	0.204
12	H	0.259

	x	y	z	Total
	1.590	2.749	0.454	3.208
CHELPG
AIM
ESP

	x	y	z
x	11.755	1.090	0.137
y	1.090	10.245	-0.039
z	0.137	-0.039	6.262

<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/6-311G**

States and conformations

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