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	hartrees
Energy at 0K	-552.364882
Energy at 298.15K	-552.371568
Nuclear repulsion energy	217.525645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	3083	7.29
2	A₁	2952	2920	1.02
3	A₁	1688	1669	6.45
4	A₁	1405	1390	8.51
5	A₁	1238	1224	0.45
6	A₁	1088	1076	0.30
7	A₁	972	961	0.32
8	A₁	726	719	1.91
9	A₁	511	506	0.03
10	A₂	2984	2951	0.00
11	A₂	1099	1087	0.00
12	A₂	939	929	0.00
13	A₂	913	903	0.00
14	A₂	378	373	0.00
15	B₁	2985	2953	7.27
16	B₁	1078	1066	11.20
17	B₁	856	847	0.16
18	B₁	654	647	50.00
19	B₁	87	86	3.93
20	B₂	3095	3062	0.68
21	B₂	2953	2921	48.71
22	B₂	1401	1386	2.44
23	B₂	1318	1304	1.74
24	B₂	1195	1181	5.94
25	B₂	967	957	12.66
26	B₂	811	802	0.17
27	B₂	650	643	0.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.234
C2	0.000	1.334	-0.000
C3	0.000	-1.334	-0.000
C4	0.000	0.662	-1.317
C5	0.000	-0.662	-1.317
H6	-0.888	1.975	0.135
H7	0.888	1.975	0.135
H8	0.888	-1.975	0.135
H9	-0.888	-1.975	0.135
H10	0.000	1.258	-2.234
H11	0.000	-1.258	-2.234

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8174	1.8174	2.6353	2.6353	2.4280	2.4280	2.4280	2.4280	3.6885	3.6885
C2	1.8174		2.6689	1.4785	2.3920	1.1027	1.1027	3.4287	3.4287	2.2350	3.4217
C3	1.8174	2.6689		2.3920	1.4785	3.4287	3.4287	1.1027	1.1027	3.4217	2.2350
C4	2.6353	1.4785	2.3920		1.3249	2.1487	2.1487	3.1384	3.1384	1.0930	2.1277
C5	2.6353	2.3920	1.4785	1.3249		3.1384	3.1384	2.1487	2.1487	2.1277	1.0930
H6	2.4280	1.1027	3.4287	2.1487	3.1384		1.7753	4.3300	3.9494	2.6290	4.1042
H7	2.4280	1.1027	3.4287	2.1487	3.1384	1.7753		3.9494	4.3300	2.6290	4.1042
H8	2.4280	3.4287	1.1027	3.1384	2.1487	4.3300	3.9494		1.7753	4.1042	2.6290
H9	2.4280	3.4287	1.1027	3.1384	2.1487	3.9494	4.3300	1.7753		4.1042	2.6290
H10	3.6885	2.2350	3.4217	1.0930	2.1277	2.6290	2.6290	4.1042	4.1042		2.5151
H11	3.6885	3.4217	2.2350	2.1277	1.0930	4.1042	4.1042	2.6290	2.6290	2.5151

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.720	S1	C2	H6	110.084
S1	C2	H7	110.084	S1	C3	C5	105.720
S1	C3	H8	110.084	S1	C3	H9	110.084
C2	S1	C3	94.491	C2	C4	C5	117.034
C2	C4	H10	119.976	C3	C5	C4	117.034
C3	C5	H11	119.976	C4	C2	H6	111.883
C4	C2	H7	111.883	C4	C5	H11	122.989
C5	C3	H8	111.883	C5	C3	H9	111.883
C5	C4	H10	122.989	H6	C2	H7	107.215
H8	C3	H9	107.215

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	-0.078
2	C	-0.198
3	C	-0.198
4	C	-0.152
5	C	-0.152
6	H	0.128
7	H	0.128
8	H	0.128
9	H	0.128
10	H	0.132
11	H	0.132

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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