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	hartrees
Energy at 0K	-627.156282
Energy at 298.15K	-627.163553
Nuclear repulsion energy	294.355691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3714	3654	54.79
2	A	3137	3087	6.24
3	A	3075	3026	4.47
4	A	3011	2963	22.58
5	A	2993	2946	8.01
6	A	2915	2868	43.47
7	A	1686	1659	146.34
8	A	1410	1388	0.43
9	A	1390	1367	8.25
10	A	1351	1329	19.78
11	A	1281	1261	5.50
12	A	1262	1242	50.37
13	A	1227	1207	4.35
14	A	1148	1129	19.49
15	A	1107	1089	31.42
16	A	1098	1080	116.93
17	A	1019	1002	19.14
18	A	962	947	4.57
19	A	935	920	16.22
20	A	841	828	2.64
21	A	700	688	10.62
22	A	694	683	32.84
23	A	685	674	14.89
24	A	613	603	4.33
25	A	527	518	3.45
26	A	458	451	2.83
27	A	369	363	83.84
28	A	353	348	12.07
29	A	255	251	6.35
30	A	174	171	2.89

Atom	x (Å)	y (Å)	z (Å)
S1	0.062	-1.251	-0.120
C2	-0.849	0.243	0.026
C3	-0.106	1.359	0.032
C4	1.344	1.097	-0.186
C5	1.574	-0.331	0.279
O6	-2.174	0.086	0.080
H7	-0.538	2.361	0.086
H8	2.002	1.787	0.372
H9	1.707	-0.368	1.374
H10	1.612	1.202	-1.259
H11	2.432	-0.823	-0.203
H12	-2.588	0.964	0.003

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.7559	2.6198	2.6766	1.8154	2.6134	3.6677	3.6384	2.3915	3.1176	2.4097	3.4563
C2	1.7559		1.3402	2.3629	2.5031	1.3359	2.1418	3.2604	2.9535	2.9367	3.4570	1.8830
C3	2.6198	1.3402		1.4898	2.3958	2.4286	1.0927	2.1779	2.8408	2.1546	3.3552	2.5131
C4	2.6766	2.3629	1.4898		1.5192	3.6704	2.2831	1.1042	2.1705	1.1112	2.2071	3.9390
C5	1.8154	2.5031	2.3958	1.5192		3.7772	3.4271	2.1624	1.1034	2.1720	1.1000	4.3680
O6	2.6134	1.3359	2.4286	3.6704	3.7772		2.8024	4.5187	4.1165	4.1679	4.7035	0.9735
H7	3.6677	2.1418	1.0927	2.2831	3.4271	2.8024		2.6193	3.7612	2.7878	4.3637	2.4823
H8	3.6384	3.2604	2.1779	1.1042	2.1624	4.5187	2.6193		2.3951	1.7759	2.7072	4.6776
H9	2.3915	2.9535	2.8408	2.1705	1.1034	4.1165	3.7612	2.3951		3.0673	1.7943	4.7010
H10	3.1176	2.9367	2.1546	1.1112	2.1720	4.1679	2.7878	1.7759	3.0673		2.4271	4.3919
H11	2.4097	3.4570	3.3552	2.2071	1.1000	4.7035	4.3637	2.7072	1.7943	2.4271		5.3326
H12	3.4563	1.8830	2.5131	3.9390	4.3680	0.9735	2.4823	4.6776	4.7010	4.3919	5.3326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	114.931	S1	C2	O6	114.718
S1	C5	C4	106.437	S1	C5	H9	107.526
S1	C5	H11	109.012	C2	S1	C5	88.983
C2	C3	C4	113.117	C2	C3	H7	123.039
C2	O6	H12	108.228	C3	C2	O6	130.328
C3	C4	C5	105.536	C3	C4	H8	113.361
C3	C4	H10	111.031	C4	C3	H7	123.546
C4	C5	H9	110.714	C4	C5	H11	113.886
C5	C4	H8	110.025	C5	C4	H10	110.364
H8	C4	H10	106.570	H9	C5	H11	109.042

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

using model chemistry: LSDA/6-31G(2df,p)

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	-0.157
2	C	0.361
3	C	-0.278
4	C	-0.300
5	C	-0.275
6	O	-0.402
7	H	0.111
8	H	0.141
9	H	0.168
10	H	0.143
11	H	0.161
12	H	0.327

	x	y	z	Total
	0.397	2.322	0.152	2.361
CHELPG
AIM
ESP

	x	y	z
x	10.663	0.263	-0.022
y	0.263	10.688	0.135
z	-0.022	0.135	6.344

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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