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	hartrees
Energy at 0K	-552.266569
Energy at 298.15K	-552.273231
Nuclear repulsion energy	216.448970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3083	10.38
2	A₁	2974	2918	0.52
3	A₁	1710	1678	5.76
4	A₁	1446	1419	9.20
5	A₁	1262	1238	0.00
6	A₁	1101	1081	0.28
7	A₁	979	960	0.11
8	A₁	726	713	2.48
9	A₁	514	504	0.04
10	A₂	3008	2952	0.00
11	A₂	1110	1089	0.00
12	A₂	946	928	0.00
13	A₂	915	898	0.00
14	A₂	369	362	0.00
15	B₁	3010	2954	12.49
16	B₁	1093	1073	9.63
17	B₁	876	859	0.25
18	B₁	658	645	48.69
19	B₁	93	91	5.37
20	B₂	3120	3062	1.14
21	B₂	2974	2918	52.76
22	B₂	1442	1415	0.56
23	B₂	1331	1306	1.09
24	B₂	1218	1195	8.01
25	B₂	979	961	9.51
26	B₂	808	793	0.11
27	B₂	648	636	0.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.242
C2	0.000	1.339	-0.001
C3	0.000	-1.339	-0.001
C4	0.000	0.666	-1.325
C5	0.000	-0.666	-1.325
H6	-0.890	1.984	0.133
H7	0.890	1.984	0.133
H8	0.890	-1.984	0.133
H9	-0.890	-1.984	0.133
H10	0.000	1.268	-2.242
H11	0.000	-1.268	-2.242

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8267	1.8267	2.6518	2.6518	2.4406	2.4406	2.4406	2.4406	3.7072	3.7072
C2	1.8267		2.6776	1.4851	2.4028	1.1070	1.1070	3.4422	3.4422	2.2420	3.4376
C3	1.8267	2.6776		2.4028	1.4851	3.4422	3.4422	1.1070	1.1070	3.4376	2.2420
C4	2.6518	1.4851	2.4028		1.3326	2.1570	2.1570	3.1527	3.1527	1.0967	2.1406
C5	2.6518	2.4028	1.4851	1.3326		3.1527	3.1527	2.1570	2.1570	2.1406	1.0967
H6	2.4406	1.1070	3.4422	2.1570	3.1527		1.7796	4.3482	3.9674	2.6349	4.1236
H7	2.4406	1.1070	3.4422	2.1570	3.1527	1.7796		3.9674	4.3482	2.6349	4.1236
H8	2.4406	3.4422	1.1070	3.1527	2.1570	4.3482	3.9674		1.7796	4.1236	2.6349
H9	2.4406	3.4422	1.1070	3.1527	2.1570	3.9674	4.3482	1.7796		4.1236	2.6349
H10	3.7072	2.2420	3.4376	1.0967	2.1406	2.6349	2.6349	4.1236	4.1236		2.5361
H11	3.7072	3.4376	2.2420	2.1406	1.0967	4.1236	4.1236	2.6349	2.6349	2.5361

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.940	S1	C2	H6	110.169
S1	C2	H7	110.169	S1	C3	C5	105.940
S1	C3	H8	110.169	S1	C3	H9	110.169
C2	S1	C3	94.265	C2	C4	C5	116.928
C2	C4	H10	119.794	C3	C5	C4	116.928
C3	C5	H11	119.794	C4	C2	H6	111.810
C4	C2	H7	111.810	C4	C5	H11	123.278
C5	C3	H8	111.810	C5	C3	H9	111.810
C5	C4	H10	123.278	H6	C2	H7	106.982
H8	C3	H9	106.982

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	S	0.095
2	C	-0.535
3	C	-0.535
4	C	-0.104
5	C	-0.104
6	H	0.212
7	H	0.212
8	H	0.212
9	H	0.212
10	H	0.166
11	H	0.166

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-31G*

States and conformations

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