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	hartrees
Energy at 0K	-550.195230
Energy at 298.15K	-550.202164
Nuclear repulsion energy	214.798187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3064	11.54
2	A₁	3151	2932	0.41
3	A₁	1772	1649	2.17
4	A₁	1606	1494	7.86
5	A₁	1369	1274	0.79
6	A₁	1233	1147	0.83
7	A₁	954	888	0.18
8	A₁	739	688	3.20
9	A₁	551	512	0.12
10	A₂	3190	2968	0.00
11	A₂	1249	1163	0.00
12	A₂	1050	977	0.00
13	A₂	1005	935	0.00
14	A₂	394	367	0.00
15	B₁	3192	2970	16.71
16	B₁	1232	1147	9.22
17	B₁	975	908	1.04
18	B₁	734	683	59.47
19	B₁	95	89	4.39
20	B₂	3263	3036	1.72
21	B₂	3150	2931	42.57
22	B₂	1605	1493	0.14
23	B₂	1444	1344	5.54
24	B₂	1343	1250	3.68
25	B₂	983	915	7.27
26	B₂	867	807	0.48
27	B₂	664	618	0.18

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.256
C2	0.000	1.354	0.005
C3	0.000	-1.354	0.005
C4	0.000	0.663	-1.350
C5	0.000	-0.663	-1.350
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		1.8436	1.8436	2.6895	2.6895	2.4389	2.4389	2.4389	2.4389	3.7256	3.7256
C2	1.8436		2.7083	1.5214	2.4304	1.0902	1.0902	3.4475	3.4475	2.2547	3.4553
C3	1.8436	2.7083		2.4304	1.5214	3.4475	3.4475	1.0902	1.0902	3.4553	2.2547
C4	2.6895	1.5214	2.4304		1.3264	2.1697	2.1697	3.1538	3.1538	1.0809	2.1274
C5	2.6895	2.4304	1.5214	1.3264		3.1538	3.1538	2.1697	2.1697	2.1274	1.0809
H6	2.4389	1.0902	3.4475	2.1697	3.1538		1.7743	4.3298	3.9496	2.6379	4.1177
H7	2.4389	1.0902	3.4475	2.1697	3.1538	1.7743		3.9496	4.3298	2.6379	4.1177
H8	2.4389	3.4475	1.0902	3.1538	2.1697	4.3298	3.9496		1.7743	4.1177	2.6379
H9	2.4389	3.4475	1.0902	3.1538	2.1697	3.9496	4.3298	1.7743		4.1177	2.6379
H10	3.7256	2.2547	3.4553	1.0809	2.1274	2.6379	2.6379	4.1177	4.1177		2.5312
H11	3.7256	3.4553	2.2547	2.1274	1.0809	4.1177	4.1177	2.6379	2.6379	2.5312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C4	105.723	S1	C2	H6	109.789
S1	C2	H7	109.789	S1	C3	C5	105.723
S1	C3	H8	109.789	S1	C3	H9	109.789
C2	S1	C3	94.533	C2	C4	C5	117.010
C2	C4	H10	119.121	C3	C5	C4	117.010
C3	C5	H11	119.121	C4	C2	H6	111.288
C4	C2	H7	111.288	C4	C5	H11	123.869
C5	C3	H8	111.288	C5	C3	H9	111.288
C5	C4	H10	123.869	H6	C2	H7	108.923
H8	C3	H9	108.923

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

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

States and conformations

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