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	hartrees
Energy at 0K	-592.356776
Energy at 298.15K	-592.362895
HF Energy	-592.356776
Nuclear repulsion energy	271.752964

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3270	3147	1.15
2	A'	3227	3106	9.28
3	A'	3209	3089	9.69
4	A'	3127	3010	16.06
5	A'	3040	2926	40.32
6	A'	1588	1528	1.46
7	A'	1513	1456	3.56
8	A'	1494	1438	14.42
9	A'	1428	1375	0.32
10	A'	1387	1335	1.56
11	A'	1264	1217	11.06
12	A'	1179	1135	9.96
13	A'	1107	1066	2.36
14	A'	1070	1030	4.34
15	A'	992	955	2.09
16	A'	855	823	13.47
17	A'	744	716	0.34
18	A'	666	641	2.08
19	A'	547	526	0.58
20	A'	299	288	0.80
21	A"	3098	2982	16.40
22	A"	1499	1443	8.20
23	A"	1059	1019	0.12
24	A"	899	865	0.23
25	A"	824	793	17.16
26	A"	700	674	81.95
27	A"	564	543	0.41
28	A"	467	450	5.77
29	A"	229	220	3.27
30	A"	101	97	0.24

Atom	x (Å)	y (Å)	z (Å)
H1	-2.400	-1.549	0.000
C2	-1.444	-1.037	0.000
H3	-2.148	1.077	0.000
C4	-1.306	0.393	0.000
C5	0.000	0.815	0.000
H6	-0.040	-2.743	0.000
C7	-0.236	-1.679	0.000
S8	1.086	-0.554	0.000
H9	-0.312	2.925	0.000
H10	1.140	2.427	0.885
H11	1.140	2.427	-0.885
C12	0.527	2.223	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0846	2.6389	2.2295	3.3688	2.6442	2.1674	3.6254	4.9374	5.3964	5.3964	4.7750
C2	1.0846		2.2280	1.4363	2.3480	2.2096	1.3680	2.5760	4.1198	4.4106	4.4106	3.8095
H3	2.6389	2.2280		1.0854	2.1641	4.3630	3.3541	3.6222	2.6047	3.6625	3.6625	2.9101
C4	2.2295	1.4363	1.0854		1.3720	3.3814	2.3314	2.5723	2.7196	3.3013	3.3013	2.5900
C5	3.3688	2.3480	2.1641	1.3720		3.5576	2.5045	1.7470	2.1328	2.1634	2.1634	1.5040
H6	2.6442	2.2096	4.3630	3.3814	3.5576		1.0819	2.4617	5.6738	5.3755	5.3755	4.9983
C7	2.1674	1.3680	3.3541	2.3314	2.5045	1.0819		1.7362	4.6039	4.4192	4.4192	3.9760
S8	3.6254	2.5760	3.6222	2.5723	1.7470	2.4617	1.7362		3.7487	3.1092	3.1092	2.8328
H9	4.9374	4.1198	2.6047	2.7196	2.1328	5.6738	4.6039	3.7487		1.7716	1.7716	1.0932
H10	5.3964	4.4106	3.6625	3.3013	2.1634	5.3755	4.4192	3.1092	1.7716		1.7697	1.0955
H11	5.3964	4.4106	3.6625	3.3013	2.1634	5.3755	4.4192	3.1092	1.7716	1.7697		1.0955
C12	4.7750	3.8095	2.9101	2.5900	1.5040	4.9983	3.9760	2.8328	1.0932	1.0955	1.0955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.765	H1	C2	C7	123.779
C2	C4	H3	123.546	C2	C4	C5	113.436
C2	C7	H6	128.445	C2	C7	S8	111.618
H3	C4	C5	123.018	C4	C2	C7	112.456
C4	C5	S8	110.541	C4	C5	C12	128.401
C5	S8	C7	91.949	C5	C12	H9	109.396
C5	C12	H10	111.696	C5	C12	H11	111.696
H6	C7	S8	119.937	S8	C5	C12	121.058
H9	C12	H10	108.084	H9	C12	H11	108.084
H10	C12	H11	107.749

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

using model chemistry: TPSSh/6-31+G**

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	0.155
2	C	-0.292
3	H	0.149
4	C	0.132
5	C	0.045
6	H	0.183
7	C	-0.114
8	S	-0.122
9	H	0.170
10	H	0.173
11	H	0.173
12	C	-0.652

	x	y	z	Total
	-0.433	0.617	0.000	0.754
CHELPG
AIM
ESP

	x	y	z
x	12.412	0.431	0.000
y	0.431	12.922	0.000
z	0.000	0.000	7.195

<r²>	178.487
(<r²>)^1/2	13.360

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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