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	hartrees
Energy at 0K	-591.885853
Energy at 298.15K	-591.891849
Nuclear repulsion energy	270.859073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3161	0.71
2	A	3161	3118	6.00
3	A	3144	3101	7.53
4	A	3073	3031	9.84
5	A	2978	2937	31.24
6	A	1560	1538	2.89
7	A	1475	1455	4.91
8	A	1456	1436	7.80
9	A	1376	1357	0.07
10	A	1352	1333	1.12
11	A	1221	1204	9.81
12	A	1160	1144	11.16
13	A	1073	1059	2.26
14	A	1046	1031	4.49
15	A	965	952	1.84
16	A	837	826	11.03
17	A	729	719	0.27
18	A	654	645	1.76
19	A	539	532	0.67
20	A	296	292	0.85
21	A	3039	2998	13.13
22	A	1442	1422	7.92
23	A	1021	1007	1.40
24	A	861	849	0.33
25	A	790	779	11.14
26	A	669	660	55.52
27	A	555	548	0.82
28	A	459	453	4.72
29	A	225	221	2.58
30	A	101	100	0.19

Atom	x (Å)	y (Å)	z (Å)
H1	-2.403	-1.560	0.000
C2	-1.444	-1.038	0.000
H3	-2.155	1.078	0.000
C4	-1.310	0.386	0.000
C5	0.000	0.821	0.000
H6	-0.027	-2.755	0.000
C7	-0.231	-1.686	0.000
S8	1.088	-0.553	0.000
H9	-0.323	2.934	0.000
H10	1.139	2.442	0.889
H11	1.139	2.442	-0.889
C12	0.521	2.227	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0920	2.6500	2.2322	3.3831	2.6594	2.1758	3.6341	4.9521	5.4177	5.4177	4.7848
C2	1.0920		2.2320	1.4297	2.3538	2.2267	1.3756	2.5789	4.1267	4.4236	4.4236	3.8106
H3	2.6500	2.2320		1.0929	2.1707	4.3845	3.3678	3.6307	2.6078	3.6744	3.6744	2.9126
C4	2.2322	1.4297	1.0929		1.3802	3.3928	2.3355	2.5753	2.7324	3.3185	3.3185	2.5966
C5	3.3831	2.3538	2.1707	1.3802		3.5763	2.5172	1.7526	2.1374	2.1712	2.1712	1.4995
H6	2.6594	2.2267	4.3845	3.3928	3.5763		1.0888	2.4692	5.6968	5.3999	5.3999	5.0124
C7	2.1758	1.3756	3.3678	2.3355	2.5172	1.0888		1.7392	4.6204	4.4387	4.4387	3.9843
S8	3.6341	2.5789	3.6307	2.5753	1.7526	2.4692	1.7392		3.7614	3.1239	3.1239	2.8370
H9	4.9521	4.1267	2.6078	2.7324	2.1374	5.6968	4.6204	3.7614		1.7804	1.7804	1.1010
H10	5.4177	4.4236	3.6744	3.3185	2.1712	5.3999	4.4387	3.1239	1.7804		1.7780	1.1036
H11	5.4177	4.4236	3.6744	3.3185	2.1712	5.3999	4.4387	3.1239	1.7804	1.7780		1.1036
C12	4.7848	3.8106	2.9126	2.5966	1.4995	5.0124	3.9843	2.8370	1.1010	1.1036	1.1036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.996	H1	C2	C7	123.299
C2	C4	H3	123.908	C2	C4	C5	113.780
C2	C7	H6	128.886	C2	C7	S8	111.240
H3	C4	C5	122.313	C4	C2	C7	112.705
C4	C5	S8	110.017	C4	C5	C12	128.713
C5	S8	C7	92.257	C5	C12	H9	109.602
C5	C12	H10	112.143	C5	C12	H11	112.143
H6	C7	S8	119.874	S8	C5	C12	121.270
H9	C12	H10	107.715	H9	C12	H11	107.715
H10	C12	H11	107.322

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

using model chemistry: PBEPBE/6-31G**

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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Number	Element	Mulliken
1	H	0.104
2	C	-0.063
3	H	0.098
4	C	-0.070
5	C	-0.160
6	H	0.137
7	C	-0.328
8	S	0.257
9	H	0.140
10	H	0.146
11	H	0.146
12	C	-0.409

	x	y	z	Total
	-0.442	0.562	0.000	0.715
CHELPG
AIM
ESP

	x	y	z
x	11.419	0.496	0.000
y	0.496	12.213	0.000
z	0.000	0.000	5.080

<r²>	178.873
(<r²>)^1/2	13.374

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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