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	hartrees
Energy at 0K	-592.230147
Energy at 298.15K	-592.236112
Nuclear repulsion energy	268.833708

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3169	3174	1.47
2	A	3129	3134	9.39
3	A	3113	3117	9.65
4	A	3030	3034	12.86
5	A	2944	2949	39.26
6	A	1537	1539	2.06
7	A	1449	1452	6.30
8	A	1423	1426	6.46
9	A	1360	1362	1.24
10	A	1329	1331	1.33
11	A	1206	1207	9.34
12	A	1133	1135	9.28
13	A	1052	1054	1.52
14	A	1028	1030	4.33
15	A	954	956	2.03
16	A	815	816	9.89
17	A	711	712	1.04
18	A	631	632	2.01
19	A	532	533	0.50
20	A	296	296	0.78
21	A	2992	2997	17.72
22	A	1408	1410	6.42
23	A	1014	1016	0.92
24	A	870	871	0.18
25	A	796	797	9.14
26	A	667	668	45.18
27	A	555	556	0.50
28	A	454	455	4.76
29	A	223	223	2.10
30	A	99	99	0.23

Atom	x (Å)	y (Å)	z (Å)
H1	-2.426	-1.553	0.000
C2	-1.458	-1.036	0.000
H3	-2.164	1.092	0.000
C4	-1.315	0.395	0.000
C5	0.000	0.828	0.000
H6	-0.052	-2.774	0.000
C7	-0.247	-1.697	0.000
S8	1.099	-0.564	0.000
H9	-0.314	2.958	0.000
H10	1.154	2.453	0.893
H11	1.154	2.453	-0.893
C12	0.530	2.241	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0976	2.6573	2.2427	3.3995	2.6699	2.1844	3.6614	4.9811	5.4467	5.4467	4.8093
C2	1.0976		2.2416	1.4382	2.3667	2.2355	1.3798	2.6002	4.1548	4.4493	4.4493	3.8325
H3	2.6573	2.2416		1.0983	2.1800	4.4050	3.3839	3.6590	2.6280	3.6965	3.6965	2.9286
C4	2.2427	1.4382	1.0983		1.3843	3.4115	2.3487	2.5973	2.7516	3.3362	3.3362	2.6093
C5	3.3995	2.3667	2.1800	1.3843		3.6028	2.5371	1.7737	2.1531	2.1842	2.1842	1.5085
H6	2.6699	2.2355	4.4050	3.4115	3.6028		1.0948	2.4920	5.7384	5.4385	5.4385	5.0485
C7	2.1844	1.3798	3.3839	2.3487	2.5371	1.0948		1.7591	4.6556	4.4702	4.4702	4.0133
S8	3.6614	2.6002	3.6590	2.5973	1.7737	2.4920	1.7591		3.7952	3.1470	3.1470	2.8618
H9	4.9811	4.1548	2.6280	2.7516	2.1531	5.7384	4.6556	3.7952		1.7918	1.7918	1.1078
H10	5.4467	4.4493	3.6965	3.3362	2.1842	5.4385	4.4702	3.1470	1.7918		1.7869	1.1107
H11	5.4467	4.4493	3.6965	3.3362	2.1842	5.4385	4.4702	3.1470	1.7918	1.7869		1.1107
C12	4.8093	3.8325	2.9286	2.6093	1.5085	5.0485	4.0133	2.8618	1.1078	1.1107	1.1107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.805	H1	C2	C7	123.297
C2	C4	H3	123.639	C2	C4	C5	113.954
C2	C7	H6	128.855	C2	C7	S8	111.294
H3	C4	C5	122.407	C4	C2	C7	112.899
C4	C5	S8	110.049	C4	C5	C12	128.796
C5	S8	C7	91.804	C5	C12	H9	109.815
C5	C12	H10	112.116	C5	C12	H11	112.116
H6	C7	S8	119.851	S8	C5	C12	121.155
H9	C12	H10	107.738	H9	C12	H11	107.738
H10	C12	H11	107.113

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

using model chemistry: BLYP/cc-pVDZ

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	-0.049
2	C	0.088
3	H	-0.058
4	C	0.071
5	C	-0.208
6	H	-0.014
7	C	-0.089
8	S	0.103
9	H	0.015
10	H	0.030
11	H	0.030
12	C	0.081

	x	y	z	Total
	-0.260	0.543	0.000	0.602
CHELPG
AIM
ESP

	x	y	z
x	11.850	0.586	0.000
y	0.586	12.928	0.000
z	0.000	0.000	5.043

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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