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	hartrees
Energy at 0K	-553.374229
Energy at 298.15K	-553.381012
HF Energy	-552.544445
Nuclear repulsion energy	216.449570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3234	3071	11.66
2	A₁	3082	2926	0.32
3	A₁	1687	1601	6.16
4	A₁	1498	1423	5.15
5	A₁	1294	1228	0.05
6	A₁	1139	1081	0.60
7	A₁	977	928	0.15
8	A₁	740	702	1.73
9	A₁	515	489	0.06
10	A₂	3129	2971	0.00
11	A₂	1159	1100	0.00
12	A₂	975	926	0.00
13	A₂	953	905	0.00
14	A₂	376	357	0.00
15	B₁	3130	2972	11.02
16	B₁	1144	1086	11.32
17	B₁	911	865	1.10
18	B₁	687	652	44.26
19	B₁	79	75	3.68
20	B₂	3209	3047	1.65
21	B₂	3083	2927	50.75
22	B₂	1494	1419	0.06
23	B₂	1369	1300	3.22
24	B₂	1253	1190	5.80
25	B₂	992	942	7.19
26	B₂	830	789	0.69
27	B₂	663	629	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.241
C2	0.000	1.346	0.004
C3	0.000	-1.346	0.004
C4	0.000	0.666	-1.331
C5	0.000	-0.666	-1.331
H6	-0.883	1.971	0.136
H7	0.883	1.971	0.136
H8	0.883	-1.971	0.136
H9	-0.883	-1.971	0.136
H10	0.000	1.260	-2.236
H11	0.000	-1.260	-2.236

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8282	1.8282	2.6564	2.6564	2.4261	2.4261	2.4261	2.4261	3.6975	3.6975
C2	1.8282		2.6924	1.4978	2.4147	1.0899	1.0899	3.4353	3.4353	2.2410	3.4360
C3	1.8282	2.6924		2.4147	1.4978	3.4353	3.4353	1.0899	1.0899	3.4360	2.2410
C4	2.6564	1.4978	2.4147		1.3324	2.1525	2.1525	3.1441	3.1441	1.0822	2.1280
C5	2.6564	2.4147	1.4978	1.3324		3.1441	3.1441	2.1525	2.1525	2.1280	1.0822
H6	2.4261	1.0899	3.4353	2.1525	3.1441		1.7665	4.3197	3.9420	2.6285	4.1039
H7	2.4261	1.0899	3.4353	2.1525	3.1441	1.7665		3.9420	4.3197	2.6285	4.1039
H8	2.4261	3.4353	1.0899	3.1441	2.1525	4.3197	3.9420		1.7665	4.1039	2.6285
H9	2.4261	3.4353	1.0899	3.1441	2.1525	3.9420	4.3197	1.7665		4.1039	2.6285
H10	3.6975	2.2410	3.4360	1.0822	2.1280	2.6285	2.6285	4.1039	4.1039		2.5198
H11	3.6975	3.4360	2.2410	2.1280	1.0822	4.1039	4.1039	2.6285	2.6285	2.5198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.577	S1	C2	H6	109.888
S1	C2	H7	109.888	S1	C3	C5	105.577
S1	C3	H8	109.888	S1	C3	H9	109.888
C2	S1	C3	94.844	C2	C4	C5	117.001
C2	C4	H10	119.729	C3	C5	C4	117.001
C3	C5	H11	119.729	C4	C2	H6	111.601
C4	C2	H7	111.601	C4	C5	H11	123.270
C5	C3	H8	111.601	C5	C3	H9	111.601
C5	C4	H10	123.270	H6	C2	H7	108.267
H8	C3	H9	108.267

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

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

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