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	hartrees
Energy at 0K	-589.168856
Energy at 298.15K	-589.174815
Nuclear repulsion energy	265.325754

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3197	0.77
2	A	3151	3134	5.46
3	A	3135	3118	7.08
4	A	3039	3023	10.99
5	A	2968	2952	25.10
6	A	1562	1554	2.49
7	A	1517	1509	4.14
8	A	1456	1448	12.35
9	A	1425	1417	3.91
10	A	1339	1332	0.71
11	A	1256	1249	15.46
12	A	1135	1128	11.78
13	A	1098	1092	4.47
14	A	1039	1034	2.43
15	A	979	974	2.81
16	A	813	808	8.98
17	A	657	653	4.89
18	A	582	579	4.30
19	A	523	520	1.17
20	A	290	289	1.20
21	A	3009	2993	16.13
22	A	1511	1502	9.22
23	A	1065	1059	3.08
24	A	893	888	0.36
25	A	820	815	8.88
26	A	690	686	81.01
27	A	559	556	0.64
28	A	442	440	5.38
29	A	217	216	3.72
30	A	115	114	0.30

Atom	x (Å)	y (Å)	z (Å)
H1	-2.477	-1.466	0.000
C2	-1.494	-0.997	0.000
H3	-2.139	1.144	0.000
C4	-1.308	0.439	0.000
C5	0.000	0.853	0.000
H6	-0.181	-2.788	0.000
C7	-0.329	-1.714	0.000
S8	1.128	-0.608	0.000
H9	-0.256	2.981	0.000
H10	1.192	2.434	0.893
H11	1.192	2.434	-0.893
C12	0.568	2.250	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0890	2.6316	2.2354	3.3933	2.6498	2.1622	3.7058	4.9706	5.4285	5.4285	4.8045
C2	1.0890		2.2359	1.4483	2.3782	2.2213	1.3683	2.6509	4.1661	4.4480	4.4480	3.8467
H3	2.6316	2.2359		1.0896	2.1589	4.3929	3.3833	3.7073	2.6306	3.6820	3.6820	2.9249
C4	2.2354	1.4483	1.0896		1.3719	3.4188	2.3659	2.6516	2.7506	3.3204	3.3204	2.6076
C5	3.3933	2.3782	2.1589	1.3719		3.6460	2.5887	1.8460	2.1431	2.1718	2.1718	1.5080
H6	2.6498	2.2213	4.3929	3.4188	3.6460		1.0840	2.5429	5.7698	5.4731	5.4731	5.0937
C7	2.1622	1.3683	3.3833	2.3659	2.5887	1.0840		1.8297	4.6960	4.5080	4.5080	4.0648
S8	3.7058	2.6509	3.7073	2.6516	1.8460	2.5429	1.8297		3.8467	3.1711	3.1711	2.9123
H9	4.9706	4.1661	2.6306	2.7506	2.1431	5.7698	4.6960	3.8467		1.7868	1.7868	1.1022
H10	5.4285	4.4480	3.6820	3.3204	2.1718	5.4731	4.5080	3.1711	1.7868		1.7850	1.1041
H11	5.4285	4.4480	3.6820	3.3204	2.1718	5.4731	4.5080	3.1711	1.7868	1.7850		1.1041
C12	4.8045	3.8467	2.9249	2.6076	1.5080	5.0937	4.0648	2.9123	1.1022	1.1041	1.1041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	122.898	H1	C2	C7	122.861
C2	C4	H3	122.896	C2	C4	C5	114.945
C2	C7	H6	129.497	C2	C7	S8	111.160
H3	C4	C5	122.159	C4	C2	C7	114.241
C4	C5	S8	110.108	C4	C5	C12	129.702
C5	S8	C7	89.546	C5	C12	H9	109.402
C5	C12	H10	111.554	C5	C12	H11	111.554
H6	C7	S8	119.343	S8	C5	C12	120.189
H9	C12	H10	108.170	H9	C12	H11	108.170
H10	C12	H11	107.869

All results from a given calculation for C₅H₆S (Thiophene, 2-methyl-)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	H	0.172
2	C	-0.125
3	H	0.166
4	C	-0.130
5	C	-0.294
6	H	0.201
7	C	-0.498
8	S	0.470
9	H	0.201
10	H	0.205
11	H	0.205
12	C	-0.575

	x	y	z	Total
	-0.742	0.698	0.000	1.019
CHELPG
AIM
ESP

<r²>	185.290
(<r²>)^1/2	13.612

All results from a given calculation for C5H6S (Thiophene, 2-methyl-)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for C₅H₆S (Thiophene, 2-methyl-)