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	hartrees
Energy at 0K	-552.453645
Energy at 298.15K	-552.460805
HF Energy	-552.453645
Nuclear repulsion energy	217.363844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3420	3073	12.04
2	A	3380	3037	5.56
3	A	3316	2980	17.58
4	A	3261	2930	55.70
5	A	3241	2912	13.53
6	A	3194	2870	46.66
7	A	1825	1639	7.45
8	A	1647	1480	0.94
9	A	1625	1460	1.08
10	A	1489	1338	0.23
11	A	1463	1314	3.43
12	A	1417	1273	17.54
13	A	1336	1200	2.35
14	A	1264	1136	0.92
15	A	1231	1106	0.50
16	A	1122	1008	5.98
17	A	1077	967	3.19
18	A	1062	954	1.94
19	A	980	881	2.25
20	A	933	838	1.30
21	A	860	772	19.78
22	A	778	699	44.99
23	A	755	678	12.47
24	A	711	639	4.28
25	A	548	492	0.42
26	A	440	396	1.97
27	A	158	142	1.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.051	-1.267	0.189
H2	-0.032	-1.559	1.231
H3	0.142	-2.139	-0.418
C4	-1.384	-0.579	-0.157
H5	-2.185	-0.972	0.460
H6	-1.658	-0.768	-1.193
C7	0.092	1.282	0.076
H8	0.447	2.291	0.164
C9	-1.168	0.901	0.049
H10	-1.992	1.588	0.117
S11	1.271	-0.029	-0.081

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0820	1.0805	1.5390	2.1712	2.1777	2.5556	3.5925	2.4428	3.4532	1.8314
H2	1.0820		1.7570	2.1713	2.3611	3.0244	3.0697	4.0237	2.9564	3.8719	2.4003
H3	1.0805	1.7570		2.1973	2.7476	2.3914	3.4572	4.4786	3.3434	4.3283	2.4168
C4	1.5390	2.1713	2.1973		1.0851	1.0883	2.3872	3.4195	1.5102	2.2681	2.7127
H5	2.1712	2.3611	2.7476	1.0851		1.7476	3.2272	4.2023	2.1702	2.5903	3.6234
H6	2.1777	3.0244	2.3914	1.0883	1.7476		2.9797	3.9537	2.1379	2.7168	3.2193
C7	2.5556	3.0697	3.4572	2.3872	3.2272	2.9797		1.0729	1.3174	2.1073	1.7706
H8	3.5925	4.0237	4.4786	3.4195	4.2023	3.9537	1.0729		2.1340	2.5386	2.4746
C9	2.4428	2.9564	3.3434	1.5102	2.1702	2.1379	1.3174	2.1340		1.0749	2.6145
H10	3.4532	3.8719	4.3283	2.2681	2.5903	2.7168	2.1073	2.5386	1.0749		3.6479
S11	1.8314	2.4003	2.4168	2.7127	3.6234	3.2193	1.7706	2.4746	2.6145	3.6479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.473	C1	C4	H6	110.799
C1	C4	C9	106.472	C1	S11	C7	90.370
H2	C1	H3	108.675	H2	C1	C4	110.662
H2	C1	S11	108.182	H3	C1	C4	112.860
H3	C1	S11	109.478	C4	C1	S11	106.872
C4	C9	C7	115.013	C4	C9	H10	121.740
H5	C4	H6	107.044	H5	C4	C9	112.446
H6	C4	C9	109.652	C7	C9	H10	123.171
H8	C7	C9	126.150	H8	C7	S11	118.928
C9	C7	S11	114.912

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)

using model chemistry: HF/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	C	-0.484
2	H	0.203
3	H	0.202
4	C	-0.333
5	H	0.181
6	H	0.184
7	C	-0.358
8	H	0.222
9	C	-0.169
10	H	0.199
11	S	0.154

	x	y	z	Total
	-1.886	-0.257	0.246	1.919
CHELPG	-1.743	-0.224	0.249	1.775
AIM
ESP	-1.847	-0.263	0.278	1.886

	x	y	z
x	9.698	0.337	-0.091
y	0.337	8.078	0.090
z	-0.091	0.090	5.169

<r²>	127.363
(<r²>)^1/2	11.286

All results from a given calculation for C4H6S (Thiophene, 2,3-dihydro-)

using model chemistry: HF/6-31G*

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)