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	hartrees
Energy at 0K	-550.197377
Energy at 298.15K	-550.204306
Nuclear repulsion energy	214.717259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3073	11.68
2	A₁	3146	2940	0.40
3	A₁	1767	1651	2.16
4	A₁	1604	1499	7.89
5	A₁	1367	1277	0.74
6	A₁	1231	1150	0.83
7	A₁	952	890	0.19
8	A₁	737	688	3.21
9	A₁	550	514	0.12
10	A₂	3185	2976	0.00
11	A₂	1248	1166	0.00
12	A₂	1049	980	0.00
13	A₂	1004	938	0.00
14	A₂	394	368	0.00
15	B₁	3187	2978	17.03
16	B₁	1231	1150	9.23
17	B₁	974	910	1.06
18	B₁	734	686	59.29
19	B₁	95	89	4.38
20	B₂	3259	3045	1.73
21	B₂	3145	2939	43.31
22	B₂	1603	1498	0.11
23	B₂	1442	1348	5.37
24	B₂	1340	1253	3.57
25	B₂	981	917	7.38
26	B₂	866	809	0.45
27	B₂	662	618	0.17

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.257
C2	0.000	1.355	0.005
C3	0.000	-1.355	0.005
C4	0.000	0.664	-1.351
C5	0.000	-0.664	-1.351
H6	-0.887	1.975	0.133
H7	0.887	1.975	0.133
H8	0.887	-1.975	0.133
H9	-0.887	-1.975	0.133
H10	0.000	1.266	-2.248
H11	0.000	-1.266	-2.248

	S1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
S1		1.8444	1.8444	2.6905	2.6905	2.4397	2.4397	2.4397	2.4397	3.7268	3.7268
C2	1.8444		2.7095	1.5219	2.4315	1.0904	1.0904	3.4488	3.4488	2.2554	3.4564
C3	1.8444	2.7095		2.4315	1.5219	3.4488	3.4488	1.0904	1.0904	3.4564	2.2554
C4	2.6905	1.5219	2.4315		1.3271	2.1703	2.1703	3.1549	3.1549	1.0811	2.1281
C5	2.6905	2.4315	1.5219	1.3271		3.1549	3.1549	2.1703	2.1703	2.1281	1.0811
H6	2.4397	1.0904	3.4488	2.1703	3.1549		1.7746	4.3312	3.9509	2.6387	4.1190
H7	2.4397	1.0904	3.4488	2.1703	3.1549	1.7746		3.9509	4.3312	2.6387	4.1190
H8	2.4397	3.4488	1.0904	3.1549	2.1703	4.3312	3.9509		1.7746	4.1190	2.6387
H9	2.4397	3.4488	1.0904	3.1549	2.1703	3.9509	4.3312	1.7746		4.1190	2.6387
H10	3.7268	2.2554	3.4564	1.0811	2.1281	2.6387	2.6387	4.1190	4.1190		2.5320
H11	3.7268	3.4564	2.2554	2.1281	1.0811	4.1190	4.1190	2.6387	2.6387	2.5320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.721	S1	C2	H6	109.785
S1	C2	H7	109.785	S1	C3	C5	105.721
S1	C3	H8	109.785	S1	C3	H9	109.785
C2	S1	C3	94.536	C2	C4	C5	117.011
C2	C4	H10	119.124	C3	C5	C4	117.011
C3	C5	H11	119.124	C4	C2	H6	111.289
C4	C2	H7	111.289	C4	C5	H11	123.865
C5	C3	H8	111.289	C5	C3	H9	111.289
C5	C4	H10	123.865	H6	C2	H7	108.928
H8	C3	H9	108.928

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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