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	hartrees
Energy at 0K	-590.215311
Energy at 298.15K	-590.221904
Nuclear repulsion energy	269.799762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3471	3134	2.26
2	A	3407	3076	8.07
3	A	3389	3060	12.08
4	A	3273	2955	18.58
5	A	3192	2882	33.91
6	A	1791	1617	5.22
7	A	1691	1527	13.36
8	A	1649	1488	11.66
9	A	1590	1436	0.78
10	A	1502	1356	0.49
11	A	1410	1273	18.43
12	A	1277	1153	17.06
13	A	1226	1107	1.15
14	A	1148	1037	0.66
15	A	1094	987	1.29
16	A	908	819	12.19
17	A	759	685	4.72
18	A	673	608	7.32
19	A	587	530	1.16
20	A	328	297	1.29
21	A	3254	2938	20.55
22	A	1637	1478	10.93
23	A	1203	1086	2.15
24	A	1113	1005	0.78
25	A	1003	906	7.66
26	A	836	754	110.01
27	A	633	571	0.02
28	A	516	466	4.90
29	A	251	227	4.93
30	A	134	121	0.33

Atom	x (Å)	y (Å)	z (Å)
H1	-2.426	-1.468	0.000
C2	-1.463	-1.000	0.000
H3	-2.103	1.123	0.000
C4	-1.283	0.433	0.000
C5	0.000	0.835	0.000
H6	-0.168	-2.745	0.000
C7	-0.313	-1.689	0.000
S8	1.106	-0.593	0.000
H9	-0.264	2.941	0.000
H10	1.160	2.411	0.875
H11	1.160	2.411	-0.875
C12	0.548	2.224	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0710	2.6115	2.2187	3.3453	2.5946	2.1253	3.6395	4.9110	5.3548	5.3548	4.7416
C2	1.0710		2.2177	1.4447	2.3468	2.1729	1.3405	2.6013	4.1197	4.3910	4.3910	3.8004
H3	2.6115	2.2177		1.0717	2.1223	4.3251	3.3331	3.6388	2.5857	3.6150	3.6150	2.8704
C4	2.2187	1.4447	1.0717		1.3441	3.3680	2.3328	2.5999	2.7070	3.2625	3.2625	2.5613
C5	3.3453	2.3468	2.1223	1.3441		3.5836	2.5425	1.8060	2.1227	2.1437	2.1437	1.4938
H6	2.5946	2.1729	4.3251	3.3680	3.5836		1.0664	2.5009	5.6868	5.3954	5.3954	5.0205
C7	2.1253	1.3405	3.3331	2.3328	2.5425	1.0664		1.7926	4.6297	4.4428	4.4428	4.0063
S8	3.6395	2.6013	3.6388	2.5999	1.8060	2.5009	1.7926		3.7901	3.1290	3.1290	2.8718
H9	4.9110	4.1197	2.5857	2.7070	2.1227	5.6868	4.6297	3.7901		1.7533	1.7533	1.0830
H10	5.3548	4.3910	3.6150	3.2625	2.1437	5.3954	4.4428	3.1290	1.7533		1.7508	1.0841
H11	5.3548	4.3910	3.6150	3.2625	2.1437	5.3954	4.4428	3.1290	1.7533	1.7508		1.0841
C12	4.7416	3.8004	2.8704	2.5613	1.4938	5.0205	4.0063	2.8718	1.0830	1.0841	1.0841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.070	H1	C2	C7	123.212
C2	C4	H3	122.917	C2	C4	C5	114.557
C2	C7	H6	128.698	C2	C7	S8	111.436
H3	C4	C5	122.525	C4	C2	C7	113.718
C4	C5	S8	110.385	C4	C5	C12	128.919
C5	S8	C7	89.903	C5	C12	H9	109.908
C5	C12	H10	111.536	C5	C12	H11	111.536
H6	C7	S8	119.866	S8	C5	C12	120.696
H9	C12	H10	108.011	H9	C12	H11	108.011
H10	C12	H11	107.697

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

using model chemistry: HF/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	CHELPG
1	H	0.212	0.117
2	C	-0.111	-0.105
3	H	0.208	0.134
4	C	-0.124	-0.149
5	C	-0.375	0.031
6	H	0.224	0.195
7	C	-0.551	-0.190
8	S	0.447	-0.119
9	H	0.178	0.022
10	H	0.184	0.053
11	H	0.184	0.053
12	C	-0.476	-0.041

	x	y	z	Total
	-1.210	0.694	0.000	1.395
CHELPG	-1.113	0.622	0.000	1.275
AIM
ESP

	x	y	z
x	10.874	0.256	0.000
y	0.256	10.706	0.000
z	0.000	0.000	4.494

<r²>	180.697
(<r²>)^1/2	13.442

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

using model chemistry: HF/6-31G

States and conformations

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