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	hartrees
Energy at 0K	-550.108321
Energy at 298.15K	-550.115057
HF Energy	-549.643838
Nuclear repulsion energy	209.799401

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3182	3084	12.39
2	A₁	3077	2983	0.12
3	A₁	1683	1631	2.09
4	A₁	1547	1499	8.63
5	A₁	1301	1261	0.03
6	A₁	1198	1161	0.64
7	A₁	919	891	0.51
8	A₁	661	641	3.03
9	A₁	500	485	0.00
10	A₂	3127	3031	0.00
11	A₂	1190	1154	0.00
12	A₂	981	951	0.00
13	A₂	943	914	0.00
14	A₂	377	366	0.00
15	B₁	3129	3032	15.79
16	B₁	1180	1144	7.87
17	B₁	901	873	0.95
18	B₁	700	679	53.41
19	B₁	110	107	4.58
20	B₂	3154	3057	2.12
21	B₂	3077	2982	33.58
22	B₂	1547	1500	0.11
23	B₂	1406	1363	6.53
24	B₂	1271	1232	7.09
25	B₂	957	928	6.09
26	B₂	825	800	1.13
27	B₂	589	570	0.98

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.308
C2	0.000	1.396	-0.030
C3	0.000	-1.396	-0.030
C4	0.000	0.671	-1.371
C5	0.000	-0.671	-1.371
H6	-0.898	2.008	0.109
H7	0.898	2.008	0.109
H8	0.898	-2.008	0.109
H9	-0.898	-2.008	0.109
H10	0.000	1.266	-2.283
H11	0.000	-1.266	-2.283

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.9336	1.9336	2.7618	2.7618	2.5051	2.5051	2.5051	2.5051	3.8080	3.8080
C2	1.9336		2.7920	1.5247	2.4638	1.0955	1.0955	3.5229	3.5229	2.2571	3.4880
C3	1.9336	2.7920		2.4638	1.5247	3.5229	3.5229	1.0955	1.0955	3.4880	2.2571
C4	2.7618	1.5247	2.4638		1.3415	2.1872	2.1872	3.1892	3.1892	1.0894	2.1412
C5	2.7618	2.4638	1.5247	1.3415		3.1892	3.1892	2.1872	2.1872	2.1412	1.0894
H6	2.5051	1.0955	3.5229	2.1872	3.1892		1.7963	4.3988	4.0153	2.6604	4.1531
H7	2.5051	1.0955	3.5229	2.1872	3.1892	1.7963		4.0153	4.3988	2.6604	4.1531
H8	2.5051	3.5229	1.0955	3.1892	2.1872	4.3988	4.0153		1.7963	4.1531	2.6604
H9	2.5051	3.5229	1.0955	3.1892	2.1872	4.0153	4.3988	1.7963		4.1531	2.6604
H10	3.8080	2.2571	3.4880	1.0894	2.1412	2.6604	2.6604	4.1531	4.1531		2.5329
H11	3.8080	3.4880	2.2571	2.1412	1.0894	4.1531	4.1531	2.6604	2.6604	2.5329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.380	S1	C2	H6	108.393
S1	C2	H7	108.393	S1	C3	C5	105.380
S1	C3	H8	108.393	S1	C3	H9	108.393
C2	S1	C3	92.436	C2	C4	C5	118.402
C2	C4	H10	118.452	C3	C5	C4	118.402
C3	C5	H11	118.452	C4	C2	H6	112.143
C4	C2	H7	112.143	C4	C5	H11	123.147
C5	C3	H8	112.143	C5	C3	H9	112.143
C5	C4	H10	123.147	H6	C2	H7	110.148
H8	C3	H9	110.148

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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