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	hartrees
Energy at 0K	-627.221542
Energy at 298.15K	-627.228777
Nuclear repulsion energy	293.754459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3750	3704	68.01
2	A	3151	3112	2.49
3	A	3130	3091	0.29
4	A	3022	2984	9.28
5	A	2927	2891	38.60
6	A	2910	2874	10.00
7	A	1614	1594	15.77
8	A	1400	1382	8.75
9	A	1383	1366	3.24
10	A	1295	1280	11.50
11	A	1256	1240	50.30
12	A	1231	1216	7.91
13	A	1211	1196	47.60
14	A	1142	1128	175.01
15	A	1103	1089	24.07
16	A	1076	1062	9.16
17	A	1013	1000	4.31
18	A	972	960	14.49
19	A	929	917	10.00
20	A	879	868	1.18
21	A	797	787	34.56
22	A	685	676	9.19
23	A	638	630	52.03
24	A	616	609	46.23
25	A	481	475	4.16
26	A	450	444	5.18
27	A	399	394	1.84
28	A	360	356	117.51
29	A	313	309	13.12
30	A	97	96	1.22

Atom	x (Å)	y (Å)	z (Å)
S1	-0.276	-1.271	-0.076
C2	0.851	0.169	0.369
C3	0.118	1.383	-0.136
C4	-1.335	1.113	0.025
C5	-1.642	-0.186	0.023
O6	2.105	0.099	-0.190
H7	0.875	0.162	1.477
H8	0.377	1.495	-1.210
H9	-2.088	1.903	0.054
H10	-2.646	-0.613	0.064
H11	0.473	2.288	0.384
H12	2.633	-0.560	0.289

	S1	C2	C3	C4	C5	O6	H7	H8	H9	H10	H11	H12
S1		1.8819	2.6844	2.6107	1.7479	2.7497	2.4066	3.0603	3.6569	2.4638	3.6658	3.0172
C2	1.8819		1.5057	2.4058	2.5420	1.3752	1.1085	2.1164	3.4262	3.5961	2.1523	1.9274
C3	2.6844	1.5057		1.4868	2.3639	2.3670	2.1605	1.1110	2.2738	3.4155	1.1016	3.2069
C4	2.6107	2.4058	1.4868		1.3347	3.5931	2.8106	2.1451	1.0913	2.1677	2.1859	4.3147
C5	1.7479	2.5420	2.3639	1.3347		3.7647	2.9280	2.9026	2.1358	1.0914	3.2747	4.3004
O6	2.7497	1.3752	2.3670	3.5931	3.7647		2.0729	2.4455	4.5710	4.8111	2.7901	0.9708
H7	2.4066	1.1085	2.1605	2.8106	2.9280	2.0729		3.0415	3.7192	3.8725	2.4242	2.2413
H8	3.0603	2.1164	1.1110	2.1451	2.9026	2.4455	3.0415		2.7996	3.8993	1.7829	3.4009
H9	3.6569	3.4262	2.2738	1.0913	2.1358	4.5710	3.7192	2.7996		2.5769	2.6101	5.3298
H10	2.4638	3.5961	3.4155	2.1677	1.0914	4.8111	3.8725	3.8993	2.5769		4.2714	5.2844
H11	3.6658	2.1523	1.1016	2.1859	3.2747	2.7901	2.4242	1.7829	2.6101	4.2714		3.5757
H12	3.0172	1.9274	3.2069	4.3147	4.3004	0.9708	2.2413	3.4009	5.3298	5.2844	3.5757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	104.276	S1	C2	O6	114.275
S1	C2	H7	104.169	S1	C5	C4	115.099
S1	C5	H10	118.560	C2	S1	C5	88.826
C2	C3	C4	107.015	C2	C3	H8	106.991
C2	C3	H11	110.318	C2	O6	H12	109.271
C3	C2	O6	110.411	C3	C2	H7	110.547
C3	C4	C5	113.711	C3	C4	H9	123.033
C4	C3	H8	110.495	C4	C3	H11	114.418
C4	C5	H10	126.335	C5	C4	H9	123.058
O6	C2	H7	112.706	H8	C3	H11	107.379

All results from a given calculation for C₄H₆OS (2,3-dihydrothiophene-2-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	0.143
2	C	-0.218
3	C	-0.290
4	C	-0.147
5	C	-0.298
6	O	-0.321
7	H	0.193
8	H	0.191
9	H	0.139
10	H	0.168
11	H	0.172
12	H	0.268

	x	y	z	Total
	0.449	0.718	1.439	1.669
CHELPG
AIM
ESP

	x	y	z
x	10.566	-0.076	0.119
y	-0.076	11.624	0.108
z	0.119	0.108	6.275

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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