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	hartrees
Energy at 0K	-40.844670
Energy at 298.15K	-40.851135
Nuclear repulsion energy	107.747012

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3446	3094	7.50
2	A	3407	3059	15.26
3	A	3390	3044	12.74
4	A	3308	2970	33.68
5	A	3227	2898	57.04
6	A	1757	1578	2.63
7	A	1650	1482	15.14
8	A	1621	1455	8.15
9	A	1549	1391	6.10
10	A	1492	1340	0.44
11	A	1363	1224	11.07
12	A	1263	1134	14.98
13	A	1187	1066	1.30
14	A	1124	1009	1.23
15	A	1074	964	1.82
16	A	910	817	18.41
17	A	792	711	0.30
18	A	712	639	4.51
19	A	576	517	0.92
20	A	314	282	0.81
21	A	3290	2955	41.30
22	A	1610	1445	7.15
23	A	1156	1038	0.21
24	A	1038	933	0.23
25	A	956	858	18.01
26	A	809	727	102.37
27	A	594	534	0.00
28	A	493	443	6.45
29	A	246	221	4.52
30	A	126	113	0.26

Atom	x (Å)	y (Å)	z (Å)
H1	-1.692	-2.206	0.000
C2	-0.909	-1.463	0.000
H3	-2.137	0.411	0.000
C4	-1.152	-0.030	0.000
C5	0.000	0.711	0.000
H6	0.881	-2.740	0.000
C7	0.423	-1.766	0.000
S8	1.404	-0.329	0.000
H9	-0.847	2.679	0.000
H10	0.681	2.568	0.883
H11	0.681	2.568	-0.883
C12	0.142	2.222	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0788	2.6550	2.2422	3.3722	2.6276	2.1601	3.6202	4.9581	5.4039	5.4039	4.7926
C2	1.0788		2.2409	1.4541	2.3569	2.1987	1.3662	2.5763	4.1433	4.4228	4.4228	3.8322
H3	2.6550	2.2409		1.0790	2.1581	4.3632	3.3606	3.6174	2.6096	3.6568	3.6568	2.9106
C4	2.2422	1.4541	1.0790		1.3699	3.3880	2.3443	2.5736	2.7264	3.2998	3.2998	2.5970
C5	3.3722	2.3569	2.1581	1.3699		3.5613	2.5126	1.7470	2.1429	2.1661	2.1661	1.5175
H6	2.6276	2.1987	4.3632	3.3880	3.5613		1.0762	2.4667	5.6879	5.3845	5.3845	5.0163
C7	2.1601	1.3662	3.3606	2.3443	2.5126	1.0762		1.7396	4.6231	4.4305	4.4305	3.9976
S8	3.6202	2.5763	3.6174	2.5736	1.7470	2.4667	1.7396		3.7571	3.1138	3.1138	2.8460
H9	4.9581	4.1433	2.6096	2.7264	2.1429	5.6879	4.6231	3.7571		1.7678	1.7678	1.0893
H10	5.4039	4.4228	3.6568	3.2998	2.1661	5.3845	4.4305	3.1138	1.7678		1.7659	1.0909
H11	5.4039	4.4228	3.6568	3.2998	2.1661	5.3845	4.4305	3.1138	1.7678	1.7659		1.0909
C12	4.7926	3.8322	2.9106	2.5970	1.5175	5.0163	3.9976	2.8460	1.0893	1.0909	1.0909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.888	H1	C2	C7	123.701
C2	C4	H3	123.744	C2	C4	C5	113.111
C2	C7	H6	127.981	C2	C7	S8	111.527
H3	C4	C5	123.145	C4	C2	C7	112.411
C4	C5	S8	110.733	C4	C5	C12	128.089
C5	S8	C7	92.218	C5	C12	H9	109.483
C5	C12	H10	111.234	C5	C12	H11	111.234
H6	C7	S8	120.492	S8	C5	C12	121.178
H9	C12	H10	108.363	H9	C12	H11	108.363
H10	C12	H11	108.072

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

using model chemistry: HF/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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Number	Element	Mulliken
1	H	0.287
2	C	-0.315
3	H	0.305
4	C	-0.124
5	C	-0.275
6	H	0.298
7	C	-0.314
8	S	-0.061
9	H	0.138
10	H	0.122
11	H	0.122
12	C	-0.183

	x	y	z	Total
	-0.840	0.375	0.000	0.920
CHELPG
AIM
ESP

	x	y	z
x	11.234	0.338	0.000
y	0.338	11.302	0.000
z	0.000	0.000	4.932

<r²>	134.833
(<r²>)^1/2	11.612

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

using model chemistry: HF/CEP-31G*

States and conformations

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