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	hartrees
Energy at 0K	-41.167790
Energy at 298.15K	-41.173656
HF Energy	-40.714339
Nuclear repulsion energy	104.836881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3138	5.22
2	A'	3242	3133	4.75
3	A'	3189	3082	7.51
4	A'	3137	3031	33.12
5	A'	3029	2927	51.94
6	A'	1555	1503	1.61
7	A'	1520	1469	9.50
8	A'	1459	1410	0.73
9	A'	1427	1379	14.59
10	A'	1382	1335	3.06
11	A'	1252	1210	8.19
12	A'	1173	1134	2.77
13	A'	1106	1068	5.12
14	A'	1031	996	7.44
15	A'	931	899	3.50
16	A'	810	783	17.42
17	A'	774	748	6.49
18	A'	634	612	1.12
19	A'	516	498	1.23
20	A'	309	298	0.81
21	A"	3123	3018	44.21
22	A"	1503	1452	9.67
23	A"	1080	1043	1.61
24	A"	816	788	3.84
25	A"	686	663	134.02
26	A"	615	594	0.62
27	A"	520	502	6.25
28	A"	416	402	0.24
29	A"	221	214	4.13
30	A"	111	107	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	-2.272	0.838	0.000
C2	-1.302	0.323	0.000
C3	0.000	1.025	0.000
C4	1.097	0.126	0.000
H5	-1.973	-1.848	0.000
C6	-1.185	-1.087	0.000
S7	0.561	-1.619	0.000
H8	1.218	2.853	0.000
H9	-0.332	3.006	0.899
H10	-0.332	3.006	-0.899
C11	0.147	2.561	0.000
H12	2.167	0.357	0.000

	H1	C2	C3	C4	H5	C6	S7	H8	H9	H10	C11	H12
H1		1.0982	2.2793	3.4426	2.7023	2.2110	3.7500	4.0291	3.0446	3.0446	2.9696	4.4646
C2	1.0982		1.4791	2.4064	2.2722	1.4151	2.6911	3.5702	2.9912	2.9912	2.6662	3.4689
C3	2.2793	1.4791		1.4183	3.4855	2.4221	2.7033	2.1958	2.2004	2.2004	1.5429	2.2678
C4	3.4426	2.4064	1.4183		3.6497	2.5838	1.8252	2.7293	3.3383	3.3383	2.6139	1.0950
H5	2.7023	2.2722	3.4855	3.6497		1.0956	2.5450	5.6811	5.2021	5.2021	4.8923	4.6907
C6	2.2110	1.4151	2.4221	2.5838	1.0956		1.8251	4.6145	4.2768	4.2768	3.8839	3.6495
S7	3.7500	2.6911	2.7033	1.8252	2.5450	1.8251		4.5194	4.7957	4.7957	4.2007	2.5460
H8	4.0291	3.5702	2.1958	2.7293	5.6811	4.6145	4.5194		1.7981	1.7981	1.1097	2.6702
H9	3.0446	2.9912	2.2004	3.3383	5.2021	4.2768	4.7957	1.7981		1.7972	1.1113	3.7513
H10	3.0446	2.9912	2.2004	3.3383	5.2021	4.2768	4.7957	1.7981	1.7972		1.1113	3.7513
C11	2.9696	2.6662	1.5429	2.6139	4.8923	3.8839	4.2007	1.1097	1.1113	1.1113		2.9900
H12	4.4646	3.4689	2.2678	1.0950	4.6907	3.6495	2.5460	2.6702	3.7513	3.7513	2.9900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	123.676	H1	C2	C6	122.719
C2	C3	C4	112.292	C2	C3	C11	123.816
C2	C6	H5	129.205	C2	C6	S7	111.683
C3	C2	C6	113.606	C3	C4	S7	112.304
C3	C4	H12	128.473	C3	C11	H8	110.682
C3	C11	H9	110.949	C3	C11	H10	110.949
C4	C3	C11	123.892	C4	S7	C6	90.116
H5	C6	S7	119.112	S7	C4	H12	119.223
H8	C11	H9	108.111	H8	C11	H10	108.111
H9	C11	H10	107.921

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-)