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	hartrees
Energy at 0K	-592.129929
Energy at 298.15K	-592.135897
Nuclear repulsion energy	265.144910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3221	3197	2.00
2	A	3155	3131	12.29
3	A	3137	3113	11.76
4	A	3043	3020	16.87
5	A	2961	2938	38.63
6	A	1573	1561	3.20
7	A	1502	1491	2.30
8	A	1476	1465	16.03
9	A	1426	1415	0.41
10	A	1345	1335	1.49
11	A	1253	1244	14.28
12	A	1147	1138	13.93
13	A	1097	1089	2.47
14	A	1053	1045	3.81
15	A	980	973	2.52
16	A	812	806	8.15
17	A	670	665	4.31
18	A	586	582	4.65
19	A	526	522	1.03
20	A	296	294	1.11
21	A	3012	2989	22.78
22	A	1485	1474	9.16
23	A	1063	1055	2.07
24	A	892	885	0.39
25	A	819	813	9.02
26	A	685	680	69.78
27	A	556	552	1.00
28	A	445	441	4.37
29	A	221	219	3.13
30	A	115	114	0.30

Atom	x (Å)	y (Å)	z (Å)
H1	-2.477	-1.477	0.000
C2	-1.495	-1.001	0.000
H3	-2.146	1.140	0.000
C4	-1.313	0.434	0.000
C5	0.000	0.855	0.000
H6	-0.160	-2.788	0.000
C7	-0.321	-1.714	0.000
S8	1.129	-0.606	0.000
H9	-0.262	2.984	0.000
H10	1.187	2.448	0.890
H11	1.187	2.448	-0.890
C12	0.563	2.251	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0911	2.6382	2.2381	3.4018	2.6621	2.1685	3.7099	4.9806	5.4427	5.4427	4.8099
C2	1.0911		2.2377	1.4468	2.3829	2.2309	1.3737	2.6541	4.1711	4.4587	4.4587	3.8480
H3	2.6382	2.2377		1.0918	2.1646	4.4017	3.3877	3.7115	2.6359	3.6893	3.6893	2.9270
C4	2.2381	1.4468	1.0918		1.3784	3.4225	2.3664	2.6545	2.7575	3.3310	3.3310	2.6107
C5	3.4018	2.3829	2.1646	1.3784		3.6462	2.5890	1.8464	2.1451	2.1770	2.1770	1.5052
H6	2.6621	2.2309	4.4017	3.4225	3.6462		1.0858	2.5344	5.7727	5.4790	5.4790	5.0904
C7	2.1685	1.3737	3.3877	2.3664	2.5890	1.0858		1.8256	4.6984	4.5155	4.5155	4.0624
S8	3.7099	2.6541	3.7115	2.6545	1.8464	2.5344	1.8256		3.8499	3.1812	3.1812	2.9126
H9	4.9806	4.1711	2.6359	2.7575	2.1451	5.7727	4.6984	3.8499		1.7829	1.7829	1.1029
H10	5.4427	4.4587	3.6893	3.3310	2.1770	5.4790	4.5155	3.1812	1.7829		1.7793	1.1049
H11	5.4427	4.4587	3.6893	3.3310	2.1770	5.4790	4.5155	3.1812	1.7829	1.7793		1.1049
C12	4.8099	3.8480	2.9270	2.6107	1.5052	5.0904	4.0624	2.9126	1.1029	1.1049	1.1049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.129	H1	C2	C7	122.824
C2	C4	H3	123.033	C2	C4	C5	114.997
C2	C7	H6	129.842	C2	C7	S8	111.332
H3	C4	C5	121.970	C4	C2	C7	114.047
C4	C5	S8	109.957	C4	C5	C12	129.696
C5	S8	C7	89.668	C5	C12	H9	109.703
C5	C12	H10	112.124	C5	C12	H11	112.124
H6	C7	S8	118.826	S8	C5	C12	120.348
H9	C12	H10	107.717	H9	C12	H11	107.717
H10	C12	H11	107.253

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

using model chemistry: BLYP/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
1	H	0.110
2	C	-0.022
3	H	0.105
4	C	-0.027
5	C	-0.238
6	H	0.137
7	C	-0.416
8	S	0.340
9	H	0.142
10	H	0.148
11	H	0.148
12	C	-0.428

	x	y	z	Total
	-0.784	0.691	0.000	1.045
CHELPG
AIM
ESP

<r²>	185.492
(<r²>)^1/2	13.620

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

using model chemistry: BLYP/6-31G

States and conformations

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