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	hartrees
Energy at 0K	-590.180656
Energy at 298.15K	-590.186679
Nuclear repulsion energy	273.308404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3153	1.31
2	A	3162	3115	1.77
3	A	3144	3097	4.44
4	A	3076	3030	5.60
5	A	2977	2932	25.99
6	A	1577	1553	4.75
7	A	1499	1477	8.91
8	A	1425	1404	10.13
9	A	1362	1342	2.26
10	A	1347	1327	2.32
11	A	1208	1190	11.40
12	A	1186	1169	11.33
13	A	1063	1047	6.48
14	A	1040	1025	4.58
15	A	955	940	2.17
16	A	854	841	12.90
17	A	744	733	0.07
18	A	675	665	1.00
19	A	548	540	0.63
20	A	296	291	0.85
21	A	3045	2999	5.40
22	A	1409	1388	13.63
23	A	1006	991	1.35
24	A	867	854	0.21
25	A	788	777	14.89
26	A	668	658	83.42
27	A	564	555	0.53
28	A	469	462	7.44
29	A	228	225	3.72
30	A	90	88	0.26

Atom	x (Å)	y (Å)	z (Å)
H1	-2.382	-1.568	0.000
C2	-1.427	-1.036	0.000
H3	-2.148	1.069	0.000
C4	-1.302	0.375	0.000
C5	0.000	0.812	0.000
H6	-0.004	-2.741	0.000
C7	-0.214	-1.670	0.000
S8	1.079	-0.539	0.000
H9	-0.344	2.906	0.000
H10	1.122	2.426	0.889
H11	1.122	2.426	-0.889
C12	0.506	2.204	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0933	2.6477	2.2236	3.3675	2.6509	2.1702	3.6102	4.9165	5.3873	5.3873	4.7506
C2	1.0933		2.2248	1.4164	2.3348	2.2207	1.3690	2.5543	4.0877	4.3900	4.3900	3.7724
H3	2.6477	2.2248		1.0945	2.1633	4.3715	3.3533	3.6051	2.5747	3.6501	3.6501	2.8863
C4	2.2236	1.4164	1.0945		1.3730	3.3751	2.3166	2.5496	2.7059	3.2969	3.2969	2.5711
C5	3.3675	2.3348	2.1633	1.3730		3.5529	2.4918	1.7289	2.1217	2.1574	2.1574	1.4808
H6	2.6509	2.2207	4.3715	3.3751	3.5529		1.0907	2.4536	5.6568	5.3626	5.3626	4.9709
C7	2.1702	1.3690	3.3533	2.3166	2.4918	1.0907		1.7177	4.5781	4.3998	4.3998	3.9406
S8	3.6102	2.5543	3.6051	2.5496	1.7289	2.4536	1.7177		3.7271	3.0963	3.0963	2.8022
H9	4.9165	4.0877	2.5747	2.7059	2.1217	5.6568	4.5781	3.7271		1.7800	1.7800	1.1021
H10	5.3873	4.3900	3.6501	3.2969	2.1574	5.3626	4.3998	3.0963	1.7800		1.7787	1.1044
H11	5.3873	4.3900	3.6501	3.2969	2.1574	5.3626	4.3998	3.0963	1.7800	1.7787		1.1044
C12	4.7506	3.7724	2.8863	2.5711	1.4808	4.9709	3.9406	2.8022	1.1021	1.1044	1.1044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.239	H1	C2	C7	123.227
C2	C4	H3	124.257	C2	C4	C5	113.646
C2	C7	H6	128.702	C2	C7	S8	111.189
H3	C4	C5	122.097	C4	C2	C7	112.534
C4	C5	S8	110.034	C4	C5	C12	128.532
C5	S8	C7	92.598	C5	C12	H9	109.592
C5	C12	H10	112.319	C5	C12	H11	112.319
H6	C7	S8	120.109	S8	C5	C12	121.434
H9	C12	H10	107.552	H9	C12	H11	107.552
H10	C12	H11	107.280

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

using model chemistry: LSDA/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	0.162
2	C	-0.235
3	H	0.156
4	C	0.020
5	C	-0.101
6	H	0.191
7	C	-0.200
8	S	0.032
9	H	0.197
10	H	0.208
11	H	0.208
12	C	-0.637

	x	y	z	Total
	-0.297	0.651	0.000	0.716
CHELPG
AIM
ESP

	x	y	z
x	12.647	0.473	0.000
y	0.473	13.361	0.000
z	0.000	0.000	7.401

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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