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	hartrees
Energy at 0K	-41.572819
Energy at 298.15K	-41.578878
HF Energy	-40.841532
Nuclear repulsion energy	107.050088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3104	1.65
2	A'	3264	3099	0.78
3	A'	3225	3062	3.34
4	A'	3187	3026	19.13
5	A'	3084	2928	38.33
6	A'	1588	1507	1.69
7	A'	1523	1446	10.95
8	A'	1464	1390	6.12
9	A'	1448	1375	1.79
10	A'	1425	1352	1.69
11	A'	1254	1191	4.09
12	A'	1195	1134	2.21
13	A'	1099	1044	5.77
14	A'	1022	970	7.78
15	A'	949	901	5.53
16	A'	895	850	11.23
17	A'	864	820	10.61
18	A'	663	629	0.28
19	A'	542	514	0.33
20	A'	308	292	0.78
21	A"	3175	3014	23.45
22	A"	1505	1429	8.26
23	A"	1065	1011	2.13
24	A"	854	811	2.98
25	A"	758	720	123.32
26	A"	650	617	1.64
27	A"	565	536	10.32
28	A"	450	427	0.32
29	A"	230	219	4.72
30	A"	102	97	0.08

Atom	x (Å)	y (Å)	z (Å)
H1	-2.200	0.212	0.000
C2	-1.170	-0.157	0.000
C3	0.000	0.695	0.000
C4	1.183	-0.064	0.000
H5	-1.528	-2.378	0.000
C6	-0.849	-1.522	0.000
S7	0.869	-1.772	0.000
H8	0.976	2.637	0.000
H9	-0.574	2.594	0.893
H10	-0.574	2.594	-0.893
C11	-0.044	2.216	0.000
H12	2.211	0.304	0.000

	H1	C2	C3	C4	H5	C6	S7	H8	H9	H10	C11	H12
H1		1.0943	2.2526	3.3947	2.6763	2.1988	3.6549	3.9956	3.0189	3.0189	2.9434	4.4126
C2	1.0943		1.4478	2.3553	2.2492	1.4021	2.6010	3.5234	2.9533	2.9533	2.6274	3.4130
C3	2.2526	1.4478		1.4054	3.4317	2.3741	2.6153	2.1735	2.1755	2.1755	1.5224	2.2456
C4	3.3947	2.3553	1.4054		3.5643	2.5014	1.7368	2.7089	3.3085	3.3085	2.5897	1.0920
H5	2.6763	2.2492	3.4317	3.5643		1.0922	2.4722	5.6052	5.1406	5.1406	4.8280	4.6015
C6	2.1988	1.4021	2.3741	2.5014	1.0922		1.7361	4.5420	4.2207	4.2207	3.8244	3.5639
S7	3.6549	2.6010	2.6153	1.7368	2.4722	1.7361		4.4103	4.6837	4.6837	4.0917	2.4720
H8	3.9956	3.5234	2.1735	2.7089	5.6052	4.5420	4.4103		1.7890	1.7890	1.1033	2.6403
H9	3.0189	2.9533	2.1755	3.3085	5.1406	4.2207	4.6837	1.7890		1.7869	1.1048	3.7145
H10	3.0189	2.9533	2.1755	3.3085	5.1406	4.2207	4.6837	1.7890	1.7869		1.1048	3.7145
C11	2.9434	2.6274	1.5224	2.5897	4.8280	3.8244	4.0917	1.1033	1.1048	1.1048		2.9575
H12	4.4126	3.4130	2.2456	1.0920	4.6015	3.5639	2.4720	2.6403	3.7145	3.7145	2.9575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	124.186	H1	C2	C6	122.997
C2	C3	C4	111.271	C2	C3	C11	124.386
C2	C6	H5	128.340	C2	C6	S7	111.511
C3	C2	C6	112.817	C3	C4	S7	112.248
C3	C4	H12	127.656	C3	C11	H8	110.735
C3	C11	H9	110.803	C3	C11	H10	110.803
C4	C3	C11	124.344	C4	S7	C6	92.153
H5	C6	S7	120.149	S7	C4	H12	120.096
H8	C11	H9	108.225	H8	C11	H10	108.225
H9	C11	H10	107.943

All results from a given calculation for C₅H₆S (Thiophene, 3-methyl-)

using model chemistry: MP2/CEP-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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All results from a given calculation for C5H6S (Thiophene, 3-methyl-)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for C₅H₆S (Thiophene, 3-methyl-)