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	hartrees
Energy at 0K	-551.081095
Energy at 298.15K	-551.087904
HF Energy	-551.081095
Nuclear repulsion energy	212.537045

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3235	3116	8.29
2	A₁	3101	2987	0.37
3	A₁	1730	1666	2.71
4	A₁	1521	1465	11.41
5	A₁	1301	1253	0.29
6	A₁	1187	1143	0.70
7	A₁	962	927	0.76
8	A₁	693	668	4.44
9	A₁	518	499	0.00
10	A₂	3152	3036	0.00
11	A₂	1194	1150	0.00
12	A₂	1000	963	0.00
13	A₂	940	906	0.00
14	A₂	379	365	0.00
15	B₁	3155	3039	9.74
16	B₁	1181	1137	8.50
17	B₁	886	853	0.80
18	B₁	702	676	69.72
19	B₁	115	110	5.87
20	B₂	3208	3091	0.73
21	B₂	3101	2988	32.20
22	B₂	1519	1464	2.10
23	B₂	1396	1345	5.15
24	B₂	1267	1221	3.94
25	B₂	988	951	10.97
26	B₂	841	810	1.20
27	B₂	617	594	0.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.287
C2	0.000	1.374	-0.026
C3	0.000	-1.374	-0.026
C4	0.000	0.665	-1.351
C5	0.000	-0.665	-1.351
H6	-0.894	1.989	0.113
H7	0.894	1.989	0.113
H8	0.894	-1.989	0.113
H9	-0.894	-1.989	0.113
H10	0.000	1.257	-2.261
H11	0.000	-1.257	-2.261

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9008	1.9008	2.7205	2.7205	2.4766	2.4766	2.4766	2.4766	3.7637	3.7637
C2	1.9008		2.7482	1.5026	2.4315	1.0940	1.0940	3.4828	3.4828	2.2374	3.4517
C3	1.9008	2.7482		2.4315	1.5026	3.4828	3.4828	1.0940	1.0940	3.4517	2.2374
C4	2.7205	1.5026	2.4315		1.3296	2.1671	2.1671	3.1600	3.1600	1.0853	2.1261
C5	2.7205	2.4315	1.5026	1.3296		3.1600	3.1600	2.1671	2.1671	2.1261	1.0853
H6	2.4766	1.0940	3.4828	2.1671	3.1600		1.7881	4.3615	3.9781	2.6400	4.1194
H7	2.4766	1.0940	3.4828	2.1671	3.1600	1.7881		3.9781	4.3615	2.6400	4.1194
H8	2.4766	3.4828	1.0940	3.1600	2.1671	4.3615	3.9781		1.7881	4.1194	2.6400
H9	2.4766	3.4828	1.0940	3.1600	2.1671	3.9781	4.3615	1.7881		4.1194	2.6400
H10	3.7637	2.2374	3.4517	1.0853	2.1261	2.6400	2.6400	4.1194	4.1194		2.5137
H11	3.7637	3.4517	2.2374	2.1261	1.0853	4.1194	4.1194	2.6400	2.6400	2.5137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.536	S1	C2	H6	108.562
S1	C2	H7	108.562	S1	C3	C5	105.536
S1	C3	H8	108.562	S1	C3	H9	108.562
C2	S1	C3	92.593	C2	C4	C5	118.167
C2	C4	H10	118.774	C3	C5	C4	118.167
C3	C5	H11	118.774	C4	C2	H6	112.187
C4	C2	H7	112.187	C4	C5	H11	123.059
C5	C3	H8	112.187	C5	C3	H9	112.187
C5	C4	H10	123.059	H6	C2	H7	109.613
H8	C3	H9	109.613

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)

using model chemistry: HSEh1PBE/3-21G

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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All results from a given calculation for C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,5-dihydro-)