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	hartrees
Energy at 0K	-553.127782
Energy at 298.15K	-553.134600
HF Energy	-552.454925
Nuclear repulsion energy	215.596493

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3061	15.63
2	A₁	3121	2929	0.16
3	A₁	1766	1658	4.76
4	A₁	1559	1464	5.82
5	A₁	1356	1273	0.05
6	A₁	1183	1111	0.47
7	A₁	993	932	0.08
8	A₁	751	705	1.88
9	A₁	533	500	0.12
10	A₂	3162	2968	0.00
11	A₂	1191	1118	0.00
12	A₂	1012	950	0.00
13	A₂	952	894	0.00
14	A₂	373	350	0.00
15	B₁	3164	2970	19.60
16	B₁	1176	1104	10.68
17	B₁	958	899	0.39
18	B₁	696	653	45.90
19	B₁	81	76	4.57
20	B₂	3238	3039	2.63
21	B₂	3121	2929	53.61
22	B₂	1556	1460	0.03
23	B₂	1411	1324	2.69
24	B₂	1320	1239	8.11
25	B₂	1013	951	5.28
26	B₂	849	797	0.64
27	B₂	673	632	0.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.249
C2	0.000	1.347	0.003
C3	0.000	-1.347	0.003
C4	0.000	0.666	-1.339
C5	0.000	-0.666	-1.339
H6	-0.885	1.977	0.133
H7	0.885	1.977	0.133
H8	0.885	-1.977	0.133
H9	-0.885	-1.977	0.133
H10	0.000	1.267	-2.245
H11	0.000	-1.267	-2.245

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8347	1.8347	2.6729	2.6729	2.4370	2.4370	2.4370	2.4370	3.7166	3.7166
C2	1.8347		2.6934	1.5051	2.4195	1.0943	1.0943	3.4423	3.4423	2.2495	3.4472
C3	1.8347	2.6934		2.4195	1.5051	3.4423	3.4423	1.0943	1.0943	3.4472	2.2495
C4	2.6729	1.5051	2.4195		1.3325	2.1609	2.1609	3.1526	3.1526	1.0866	2.1345
C5	2.6729	2.4195	1.5051	1.3325		3.1526	3.1526	2.1609	2.1609	2.1345	1.0866
H6	2.4370	1.0943	3.4423	2.1609	3.1526		1.7698	4.3326	3.9547	2.6349	4.1184
H7	2.4370	1.0943	3.4423	2.1609	3.1526	1.7698		3.9547	4.3326	2.6349	4.1184
H8	2.4370	3.4423	1.0943	3.1526	2.1609	4.3326	3.9547		1.7698	4.1184	2.6349
H9	2.4370	3.4423	1.0943	3.1526	2.1609	3.9547	4.3326	1.7698		4.1184	2.6349
H10	3.7166	2.2495	3.4472	1.0866	2.1345	2.6349	2.6349	4.1184	4.1184		2.5333
H11	3.7166	3.4472	2.2495	2.1345	1.0866	4.1184	4.1184	2.6349	2.6349	2.5333

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.898	S1	C2	H6	110.027
S1	C2	H7	110.027	S1	C3	C5	105.898
S1	C3	H8	110.027	S1	C3	H9	110.027
C2	S1	C3	94.447	C2	C4	C5	116.879
C2	C4	H10	119.578	C3	C5	C4	116.879
C3	C5	H11	119.578	C4	C2	H6	111.490
C4	C2	H7	111.490	C4	C5	H11	123.543
C5	C3	H8	111.490	C5	C3	H9	111.490
C5	C4	H10	123.543	H6	C2	H7	107.916
H8	C3	H9	107.916

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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