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	hartrees
Energy at 0K	-40.737422
Energy at 298.15K	-40.743970
Nuclear repulsion energy	107.119384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3421	3122	4.69
2	A	3372	3077	11.58
3	A	3353	3060	15.54
4	A	3252	2967	28.02
5	A	3155	2879	49.05
6	A	1738	1586	5.63
7	A	1645	1501	10.63
8	A	1631	1488	19.14
9	A	1564	1427	0.47
10	A	1471	1343	0.64
11	A	1375	1255	22.85
12	A	1259	1149	17.15
13	A	1202	1097	1.08
14	A	1129	1030	1.00
15	A	1072	978	2.68
16	A	895	816	13.53
17	A	758	692	3.39
18	A	669	610	6.14
19	A	577	526	1.13
20	A	320	292	1.19
21	A	3236	2953	31.49
22	A	1621	1479	11.28
23	A	1183	1080	0.68
24	A	1071	977	0.60
25	A	976	891	15.57
26	A	807	736	122.47
27	A	610	556	0.06
28	A	497	454	4.79
29	A	244	222	5.73
30	A	136	124	0.47

Atom	x (Å)	y (Å)	z (Å)
H1	-1.749	-2.151	0.000
C2	-0.942	-1.443	0.000
H3	-2.121	0.453	0.000
C4	-1.147	0.001	0.000
C5	0.000	0.728	0.000
H6	0.790	-2.783	0.000
C7	0.364	-1.802	0.000
S8	1.440	-0.365	0.000
H9	-0.798	2.709	0.000
H10	0.719	2.562	0.878
H11	0.719	2.562	-0.878
C12	0.174	2.227	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0731	2.6305	2.2339	3.3680	2.6158	2.1416	3.6549	4.9517	5.3913	5.3913	4.7813
C2	1.0731		2.2330	1.4583	2.3664	2.1896	1.3548	2.6148	4.1543	4.4234	4.4234	3.8358
H3	2.6305	2.2330		1.0737	2.1388	4.3529	3.3563	3.6543	2.6152	3.6444	3.6444	2.9008
C4	2.2339	1.4583	1.0737		1.3585	3.3917	2.3529	2.6136	2.7306	3.2882	3.2882	2.5889
C5	3.3680	2.3664	2.1388	1.3585		3.5989	2.5561	1.8081	2.1355	2.1565	2.1565	1.5090
H6	2.6158	2.1896	4.3529	3.3917	3.5989		1.0694	2.5043	5.7169	5.4172	5.4172	5.0477
C7	2.1416	1.3548	3.3563	2.3529	2.5561	1.0694		1.7952	4.6582	4.4654	4.4654	4.0334
S8	3.6549	2.6148	3.6543	2.6136	1.8081	2.5043	1.7952		3.8023	3.1397	3.1397	2.8845
H9	4.9517	4.1543	2.6152	2.7306	2.1355	5.7169	4.6582	3.8023		1.7584	1.7584	1.0850
H10	5.3913	4.4234	3.6444	3.2882	2.1565	5.4172	4.4654	3.1397	1.7584		1.7558	1.0859
H11	5.3913	4.4234	3.6444	3.2882	2.1565	5.4172	4.4654	3.1397	1.7584	1.7558		1.0859
C12	4.7813	3.8358	2.9008	2.5889	1.5090	5.0477	4.0334	2.8845	1.0850	1.0859	1.0859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.159	H1	C2	C7	123.367
C2	C4	H3	123.031	C2	C4	C5	114.256
C2	C7	H6	128.796	C2	C7	S8	111.453
H3	C4	C5	122.713	C4	C2	C7	113.473
C4	C5	S8	110.451	C4	C5	C12	128.997
C5	S8	C7	90.366	C5	C12	H9	109.740
C5	C12	H10	111.367	C5	C12	H11	111.367
H6	C7	S8	119.751	S8	C5	C12	120.552
H9	C12	H10	108.182	H9	C12	H11	108.182
H10	C12	H11	107.888

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

using model chemistry: HF/CEP-121G

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	0.204
2	C	-0.017
3	H	0.217
4	C	-0.104
5	C	-0.171
6	H	0.205
7	C	-0.526
8	S	0.283
9	H	0.175
10	H	0.172
11	H	0.172
12	C	-0.608

	x	y	z	Total
	-1.296	0.433	0.000	1.366
CHELPG
AIM
ESP

	x	y	z
x	11.528	0.292	0.000
y	0.292	11.477	0.000
z	0.000	0.000	5.576

<r²>	136.741
(<r²>)^1/2	11.694

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

using model chemistry: HF/CEP-121G

States and conformations

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