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	hartrees
Energy at 0K	-41.168535
Energy at 298.15K	-41.174430
HF Energy	-40.715385
Nuclear repulsion energy	104.569899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3247	3138	8.52
2	A	3205	3097	13.01
3	A	3185	3078	8.90
4	A	3136	3030	29.72
5	A	3031	2928	47.08
6	A	1555	1503	0.58
7	A	1521	1470	7.22
8	A	1462	1413	1.40
9	A	1457	1407	12.44
10	A	1352	1307	0.99
11	A	1259	1217	24.24
12	A	1190	1150	15.91
13	A	1101	1064	1.43
14	A	1059	1023	3.97
15	A	996	962	3.24
16	A	825	797	11.65
17	A	697	674	2.63
18	A	616	596	3.93
19	A	530	512	1.50
20	A	295	285	0.83
21	A	3128	3022	40.68
22	A	1493	1443	11.08
23	A	1088	1052	0.20
24	A	810	782	1.14
25	A	775	749	38.00
26	A	642	620	91.44
27	A	509	492	15.19
28	A	435	420	3.86
29	A	218	211	4.36
30	A	109	105	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-2.479	-1.560	0.000
C2	-1.509	-1.045	0.000
H3	-2.190	1.128	0.000
C4	-1.351	0.420	0.000
C5	0.000	0.852	0.000
H6	-0.089	-2.819	0.000
C7	-0.275	-1.740	0.000
S8	1.143	-0.588	0.000
H9	-0.312	2.997	0.000
H10	1.163	2.495	0.899
H11	1.163	2.495	-0.899
C12	0.544	2.290	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0981	2.7038	2.2789	3.4590	2.7008	2.2111	3.7500	5.0457	5.5243	5.5243	4.8949
C2	1.0981		2.2779	1.4741	2.4244	2.2719	1.4157	2.6909	4.2155	4.5259	4.5259	3.9164
H3	2.7038	2.2779		1.0979	2.2075	4.4717	3.4486	3.7489	2.6494	3.7312	3.7312	2.9708
C4	2.2789	1.4741	1.0979		1.4185	3.4765	2.4130	2.6900	2.7781	3.3816	3.3816	2.6622
C5	3.4590	2.4244	2.2075	1.4185		3.6728	2.6065	1.8385	2.1667	2.2046	2.2046	1.5369
H6	2.7008	2.2719	4.4717	3.4765	3.6728		1.0955	2.5493	5.8201	5.5337	5.5337	5.1482
C7	2.2111	1.4157	3.4486	2.4130	2.6065	1.0955		1.8268	4.7363	4.5618	4.5618	4.1117
S8	3.7500	2.6909	3.7489	2.6900	1.8385	2.5493	1.8268		3.8682	3.2114	3.2114	2.9391
H9	5.0457	4.2155	2.6494	2.7781	2.1667	5.8201	4.7363	3.8682		1.7986	1.7986	1.1100
H10	5.5243	4.5259	3.7312	3.3816	2.2046	5.5337	4.5618	3.2114	1.7986		1.7981	1.1107
H11	5.5243	4.5259	3.7312	3.3816	2.2046	5.5337	4.5618	3.2114	1.7986	1.7981		1.1107
C12	4.8949	3.9164	2.9708	2.6622	1.5369	5.1482	4.1117	2.9391	1.1100	1.1107	1.1107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.098	H1	C2	C7	122.682
C2	C4	H3	124.014	C2	C4	C5	113.880
C2	C7	H6	129.112	C2	C7	S8	111.547
H3	C4	C5	122.106	C4	C2	C7	113.220
C4	C5	S8	110.701	C4	C5	C12	128.475
C5	S8	C7	90.652	C5	C12	H9	108.812
C5	C12	H10	111.736	C5	C12	H11	111.736
H6	C7	S8	119.341	S8	C5	C12	120.824
H9	C12	H10	108.174	H9	C12	H11	108.174
H10	C12	H11	108.085

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

using model chemistry: MP2/CEP-31G

States and conformations

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