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	hartrees
Energy at 0K	-591.169160
Energy at 298.15K	-591.175301
HF Energy	-590.359247
Nuclear repulsion energy	268.456505

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3132	0.91
2	A'	3276	3121	0.71
3	A'	3244	3090	3.25
4	A'	3185	3034	12.14
5	A'	3079	2933	31.06
6	A'	1583	1508	1.87
7	A'	1497	1426	9.59
8	A'	1450	1381	4.99
9	A'	1431	1363	3.29
10	A'	1404	1337	0.75
11	A'	1252	1193	4.24
12	A'	1187	1131	2.97
13	A'	1090	1038	4.47
14	A'	1008	960	8.31
15	A'	951	905	3.12
16	A'	894	852	12.37
17	A'	864	823	6.87
18	A'	670	638	0.26
19	A'	548	522	0.28
20	A'	314	299	0.69
21	A"	3166	3016	13.86
22	A"	1480	1409	5.87
23	A"	1052	1002	1.60
24	A"	860	819	0.08
25	A"	759	723	72.37
26	A"	668	636	1.73
27	A"	582	554	7.35
28	A"	454	433	0.39
29	A"	233	222	3.55
30	A"	98	94	0.17

Atom	x (Å)	y (Å)	z (Å)
H1	-2.228	0.814	0.000
C2	-1.258	0.308	0.000
C3	0.000	0.991	0.000
C4	1.060	0.093	0.000
H5	-1.919	-1.824	0.000
C6	-1.128	-1.072	0.000
S7	0.531	-1.552	0.000
H8	1.214	2.782	0.000
H9	-0.323	2.937	0.890
H10	-0.323	2.937	-0.890
C11	0.152	2.491	0.000
H12	2.127	0.325	0.000

	H1	C2	C3	C4	H5	C6	S7	H8	H9	H10	C11	H12
H1		1.0941	2.2346	3.3659	2.6565	2.1836	3.6343	3.9644	2.9876	2.9876	2.9105	4.3816
C2	1.0941		1.4315	2.3278	2.2320	1.3861	2.5802	3.4975	2.9293	2.9293	2.5985	3.3846
C3	2.2346	1.4315		1.3896	3.4070	2.3516	2.5976	2.1636	2.1644	2.1644	1.5072	2.2284
C4	3.3659	2.3278	1.3896		3.5422	2.4788	1.7272	2.6938	3.2861	3.2861	2.5644	1.0918
H5	2.6565	2.2320	3.4070	3.5422		1.0912	2.4650	5.5706	5.1000	5.1000	4.7859	4.5812
C6	2.1836	1.3861	2.3516	2.4788	1.0912		1.7270	4.5100	4.1853	4.1853	3.7858	3.5422
S7	3.6343	2.5802	2.5976	1.7272	2.4650	1.7270		4.3871	4.6554	4.6554	4.0601	2.4636
H8	3.9644	3.4975	2.1636	2.6938	5.5706	4.5100	4.3871		1.7831	1.7831	1.1015	2.6206
H9	2.9876	2.9293	2.1644	3.2861	5.1000	4.1853	4.6554	1.7831		1.7801	1.1033	3.6901
H10	2.9876	2.9293	2.1644	3.2861	5.1000	4.1853	4.6554	1.7831	1.7801		1.1033	3.6901
C11	2.9105	2.5985	1.5072	2.5644	4.7859	3.7858	4.0601	1.1015	1.1033	1.1033		2.9307
H12	4.3816	3.3846	2.2284	1.0918	4.5812	3.5422	2.4636	2.6206	3.6901	3.6901	2.9307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	123.901	H1	C2	C6	122.958
C2	C3	C4	111.200	C2	C3	C11	124.289
C2	C6	H5	128.183	C2	C6	S7	111.488
C3	C2	C6	113.141	C3	C4	S7	112.454
C3	C4	H12	127.400	C3	C11	H8	111.109
C3	C11	H9	111.070	C3	C11	H10	111.070
C4	C3	C11	124.511	C4	S7	C6	91.718
H5	C6	S7	120.329	S7	C4	H12	120.146
H8	C11	H9	107.944	H8	C11	H10	107.944
H9	C11	H10	107.550

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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