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	hartrees
Energy at 0K	-553.218550
Energy at 298.15K	-553.225346
HF Energy	-552.468926
Nuclear repulsion energy	215.881447

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3300	3074	16.50
2	A₁	3150	2934	0.13
3	A₁	1756	1636	9.62
4	A₁	1550	1444	5.89
5	A₁	1358	1265	0.64
6	A₁	1179	1099	0.37
7	A₁	989	922	0.05
8	A₁	748	697	1.61
9	A₁	533	497	0.24
10	A₂	3195	2976	0.00
11	A₂	1171	1091	0.00
12	A₂	1010	940	0.00
13	A₂	958	892	0.00
14	A₂	368	343	0.00
15	B₁	3196	2977	13.12
16	B₁	1157	1078	14.75
17	B₁	952	886	1.48
18	B₁	691	643	53.53
19	B₁	65	60	4.89
20	B₂	3277	3053	3.54
21	B₂	3150	2934	58.73
22	B₂	1545	1439	0.03
23	B₂	1413	1316	2.44
24	B₂	1322	1231	8.86
25	B₂	1009	940	5.43
26	B₂	847	789	0.60
27	B₂	671	625	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.249
C2	0.000	1.346	0.004
C3	0.000	-1.346	0.004
C4	0.000	0.667	-1.339
C5	0.000	-0.667	-1.339
H6	-0.881	1.973	0.129
H7	0.881	1.973	0.129
H8	0.881	-1.973	0.129
H9	-0.881	-1.973	0.129
H10	0.000	1.264	-2.240
H11	0.000	-1.264	-2.240

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8337	1.8337	2.6719	2.6719	2.4333	2.4333	2.4333	2.4333	3.7103	3.7103
C2	1.8337		2.6929	1.5045	2.4201	1.0884	1.0884	3.4364	3.4364	2.2451	3.4421
C3	1.8337	2.6929		2.4201	1.5045	3.4364	3.4364	1.0884	1.0884	3.4421	2.2451
C4	2.6719	1.5045	2.4201		1.3344	2.1530	2.1530	3.1465	3.1465	1.0808	2.1311
C5	2.6719	2.4201	1.5045	1.3344		3.1465	3.1465	2.1530	2.1530	2.1311	1.0808
H6	2.4333	1.0884	3.4364	2.1530	3.1465		1.7627	4.3212	3.9453	2.6251	4.1067
H7	2.4333	1.0884	3.4364	2.1530	3.1465	1.7627		3.9453	4.3212	2.6251	4.1067
H8	2.4333	3.4364	1.0884	3.1465	2.1530	4.3212	3.9453		1.7627	4.1067	2.6251
H9	2.4333	3.4364	1.0884	3.1465	2.1530	3.9453	4.3212	1.7627		4.1067	2.6251
H10	3.7103	2.2451	3.4421	1.0808	2.1311	2.6251	2.6251	4.1067	4.1067		2.5279
H11	3.7103	3.4421	2.2451	2.1311	1.0808	4.1067	4.1067	2.6251	2.6251	2.5279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.915	S1	C2	H6	110.136
S1	C2	H7	110.136	S1	C3	C5	105.915
S1	C3	H8	110.136	S1	C3	H9	110.136
C2	S1	C3	94.492	C2	C4	C5	116.839
C2	C4	H10	119.648	C3	C5	C4	116.839
C3	C5	H11	119.648	C4	C2	H6	111.259
C4	C2	H7	111.259	C4	C5	H11	123.513
C5	C3	H8	111.259	C5	C3	H9	111.259
C5	C4	H10	123.513	H6	C2	H7	108.142
H8	C3	H9	108.142

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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