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	hartrees
Energy at 0K	-591.249294
Energy at 298.15K
HF Energy	-590.407467
Nuclear repulsion energy	272.716600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3296	3124	0.94
2	A	3262	3092	3.65
3	A	3245	3076	5.83
4	A	3177	3011	11.14
5	A	3082	2921	28.46
6	A	1578	1496	0.73
7	A	1521	1441	4.83
8	A	1483	1406	9.51
9	A	1439	1364	0.24
10	A	1400	1327	1.25
11	A	1277	1211	14.31
12	A	1207	1144	10.87
13	A	1115	1056	3.11
14	A	1084	1028	3.50
15	A	1003	951	2.21
16	A	877	831	13.72
17	A	759	720	0.17
18	A	685	649	1.93
19	A	554	525	0.77
20	A	308	292	0.67
21	A	3159	2994	11.48
22	A	1479	1402	9.01
23	A	1059	1004	0.15
24	A	732	694	11.06
25	A	688	652	23.23
26	A	614	582	60.11
27	A	421	400	4.11
28	A	242	230	6.23
29	A	100	95	0.13
30	A	173i	164i	0.17

Atom	x (Å)	y (Å)	z (Å)
H1	-2.396	-1.539	0.000
C2	-1.443	-1.027	0.000
H3	-2.143	1.075	0.000
C4	-1.304	0.391	0.000
C5	0.000	0.807	0.000
H6	-0.043	-2.728	0.000
C7	-0.236	-1.667	0.000
S8	1.088	-0.552	0.000
H9	-0.318	2.904	0.000
H10	1.129	2.412	0.883
H11	1.129	2.412	-0.883
C12	0.521	2.210	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0812	2.6263	2.2171	3.3532	2.6362	2.1635	3.6213	4.9046	5.3680	5.3680	4.7500
C2	1.0812		2.2157	1.4249	2.3341	2.2033	1.3663	2.5759	4.0890	4.3847	4.3847	3.7865
H3	2.6263	2.2157		1.0822	2.1596	4.3448	3.3401	3.6178	2.5833	3.6432	3.6432	2.8958
C4	2.2171	1.4249	1.0822		1.3692	3.3648	2.3189	2.5719	2.6996	3.2843	3.2843	2.5771
C5	3.3532	2.3341	2.1596	1.3692		3.5360	2.4856	1.7411	2.1208	2.1519	2.1519	1.4963
H6	2.6362	2.2033	4.3448	3.3648	3.5360		1.0788	2.4533	5.6393	5.3462	5.3462	4.9704
C7	2.1635	1.3663	3.3401	2.3189	2.4856	1.0788		1.7315	4.5718	4.3914	4.3914	3.9501
S8	3.6213	2.5759	3.6178	2.5719	1.7411	2.4533	1.7315		3.7311	3.0931	3.0931	2.8191
H9	4.9046	4.0890	2.5833	2.6996	2.1208	5.6393	4.5718	3.7311		1.7654	1.7654	1.0896
H10	5.3680	4.3847	3.6432	3.2843	2.1519	5.3462	4.3914	3.0931	1.7654		1.7665	1.0910
H11	5.3680	4.3847	3.6432	3.2843	2.1519	5.3462	4.3914	3.0931	1.7654	1.7665		1.0910
C12	4.7500	3.7865	2.8958	2.5771	1.4963	4.9704	3.9501	2.8191	1.0896	1.0910	1.0910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.835	H1	C2	C7	123.829
C2	C4	H3	123.624	C2	C4	C5	113.289
C2	C7	H6	128.222	C2	C7	S8	111.972
H3	C4	C5	123.087	C4	C2	C7	112.336
C4	C5	S8	110.993	C4	C5	C12	128.092
C5	S8	C7	91.411	C5	C12	H9	109.187
C5	C12	H10	111.595	C5	C12	H11	111.595
H6	C7	S8	119.806	S8	C5	C12	120.915
H9	C12	H10	108.114	H9	C12	H11	108.114
H10	C12	H11	108.113

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

using model chemistry: MP2/TZVP

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, 2-methyl-)

using model chemistry: MP2/TZVP

States and conformations

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