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	hartrees
Energy at 0K	-553.180859
Energy at 298.15K	-553.187688
HF Energy	-552.465097
Nuclear repulsion energy	215.784558

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3079	17.98
2	A₁	3132	2937	0.08
3	A₁	1762	1652	5.56
4	A₁	1560	1463	4.94
5	A₁	1358	1273	0.56
6	A₁	1179	1105	0.61
7	A₁	990	929	0.02
8	A₁	751	704	1.46
9	A₁	532	499	0.18
10	A₂	3178	2980	0.00
11	A₂	1192	1118	0.00
12	A₂	1010	947	0.00
13	A₂	961	901	0.00
14	A₂	371	348	0.00
15	B₁	3179	2981	25.30
16	B₁	1176	1103	10.29
17	B₁	956	897	0.78
18	B₁	697	653	38.19
19	B₁	79	74	4.04
20	B₂	3260	3056	3.65
21	B₂	3132	2937	64.33
22	B₂	1556	1459	0.75
23	B₂	1414	1326	2.02
24	B₂	1320	1238	8.25
25	B₂	1012	949	3.99
26	B₂	848	795	0.65
27	B₂	673	631	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.249
C2	0.000	1.345	0.004
C3	0.000	-1.345	0.004
C4	0.000	0.667	-1.339
C5	0.000	-0.667	-1.339
H6	-0.882	1.974	0.132
H7	0.882	1.974	0.132
H8	0.882	-1.974	0.132
H9	-0.882	-1.974	0.132
H10	0.000	1.264	-2.242
H11	0.000	-1.264	-2.242

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8332	1.8332	2.6728	2.6728	2.4336	2.4336	2.4336	2.4336	3.7125	3.7125
C2	1.8332		2.6902	1.5045	2.4187	1.0907	1.0907	3.4367	3.4367	2.2466	3.4421
C3	1.8332	2.6902		2.4187	1.5045	3.4367	3.4367	1.0907	1.0907	3.4421	2.2466
C4	2.6728	1.5045	2.4187		1.3331	2.1569	2.1569	3.1489	3.1489	1.0822	2.1311
C5	2.6728	2.4187	1.5045	1.3331		3.1489	3.1489	2.1569	2.1569	2.1311	1.0822
H6	2.4336	1.0907	3.4367	2.1569	3.1489		1.7634	4.3242	3.9483	2.6299	4.1107
H7	2.4336	1.0907	3.4367	2.1569	3.1489	1.7634		3.9483	4.3242	2.6299	4.1107
H8	2.4336	3.4367	1.0907	3.1489	2.1569	4.3242	3.9483		1.7634	4.1107	2.6299
H9	2.4336	3.4367	1.0907	3.1489	2.1569	3.9483	4.3242	1.7634		4.1107	2.6299
H10	3.7125	2.2466	3.4421	1.0822	2.1311	2.6299	2.6299	4.1107	4.1107		2.5280
H11	3.7125	3.4421	2.2466	2.1311	1.0822	4.1107	4.1107	2.6299	2.6299	2.5280

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.992	S1	C2	H6	110.064
S1	C2	H7	110.064	S1	C3	C5	105.992
S1	C3	H8	110.064	S1	C3	H9	110.064
C2	S1	C3	94.401	C2	C4	C5	116.808
C2	C4	H10	119.685	C3	C5	C4	116.808
C3	C5	H11	119.685	C4	C2	H6	111.427
C4	C2	H7	111.427	C4	C5	H11	123.508
C5	C3	H8	111.427	C5	C3	H9	111.427
C5	C4	H10	123.508	H6	C2	H7	107.878
H8	C3	H9	107.878

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

using model chemistry: CCD/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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All results from a given calculation for C4H6S (Thiophene, 2,5-dihydro-)

using model chemistry: CCD/6-31G**

States and conformations

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