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	hartrees
Energy at 0K	-554.242826
Energy at 298.15K	-554.249573
Nuclear repulsion energy	214.429860

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3098	16.07
2	A₁	3035	2946	0.41
3	A₁	1704	1654	9.36
4	A₁	1467	1424	6.07
5	A₁	1272	1235	0.44
6	A₁	1130	1096	0.54
7	A₁	958	930	0.30
8	A₁	701	680	2.71
9	A₁	509	494	0.02
10	A₂	3072	2981	0.00
11	A₂	1132	1098	0.00
12	A₂	959	930	0.00
13	A₂	934	907	0.00
14	A₂	384	373	0.00
15	B₁	3074	2983	14.08
16	B₁	1116	1083	11.85
17	B₁	890	864	0.88
18	B₁	669	649	47.08
19	B₁	100	97	3.99
20	B₂	3170	3076	3.64
21	B₂	3036	2946	71.10
22	B₂	1461	1418	0.10
23	B₂	1356	1316	2.67
24	B₂	1232	1195	5.45
25	B₂	970	941	9.71
26	B₂	817	793	1.00
27	B₂	627	608	0.26

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.260
C2	0.000	1.358	-0.006
C3	0.000	-1.358	-0.006
C4	0.000	0.667	-1.341
C5	0.000	-0.667	-1.341
H6	-0.889	1.990	0.129
H7	0.889	1.990	0.129
H8	0.889	-1.990	0.129
H9	-0.889	-1.990	0.129
H10	0.000	1.262	-2.257
H11	0.000	-1.262	-2.257

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8560	1.8560	2.6847	2.6847	2.4558	2.4558	2.4558	2.4558	3.7358	3.7358
C2	1.8560		2.7156	1.5030	2.4258	1.0996	1.0996	3.4668	3.4668	2.2529	3.4540
C3	1.8560	2.7156		2.4258	1.5030	3.4668	3.4668	1.0996	1.0996	3.4540	2.2529
C4	2.6847	1.5030	2.4258		1.3350	2.1681	2.1681	3.1646	3.1646	1.0919	2.1358
C5	2.6847	2.4258	1.5030	1.3350		3.1646	3.1646	2.1681	2.1681	2.1358	1.0919
H6	2.4558	1.0996	3.4668	2.1681	3.1646		1.7789	4.3599	3.9805	2.6480	4.1303
H7	2.4558	1.0996	3.4668	2.1681	3.1646	1.7789		3.9805	4.3599	2.6480	4.1303
H8	2.4558	3.4668	1.0996	3.1646	2.1681	4.3599	3.9805		1.7789	4.1303	2.6480
H9	2.4558	3.4668	1.0996	3.1646	2.1681	3.9805	4.3599	1.7789		4.1303	2.6480
H10	3.7358	2.2529	3.4540	1.0919	2.1358	2.6480	2.6480	4.1303	4.1303		2.5241
H11	3.7358	3.4540	2.2529	2.1358	1.0919	4.1303	4.1303	2.6480	2.6480	2.5241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.639	S1	C2	H6	109.715
S1	C2	H7	109.715	S1	C3	C5	105.639
S1	C3	H8	109.715	S1	C3	H9	109.715
C2	S1	C3	94.040	C2	C4	C5	117.341
C2	C4	H10	119.666	C3	C5	C4	117.341
C3	C5	H11	119.666	C4	C2	H6	111.891
C4	C2	H7	111.891	C4	C5	H11	122.993
C5	C3	H8	111.891	C5	C3	H9	111.891
C5	C4	H10	122.993	H6	C2	H7	107.969
H8	C3	H9	107.969

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.417
2	C	0.284
3	C	0.284
4	C	0.516
5	C	0.516
6	H	-0.211
7	H	-0.211
8	H	-0.211
9	H	-0.211
10	H	-0.586
11	H	-0.586

<r²>	130.518
(<r²>)^1/2	11.424

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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