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	hartrees
Energy at 0K	-590.234627
Energy at 298.15K	-590.240638
Nuclear repulsion energy	274.013212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3178	3126	0.65
2	A	3140	3088	3.04
3	A	3121	3070	5.20
4	A	3056	3006	7.04
5	A	2965	2917	24.56
6	A	1578	1552	5.33
7	A	1494	1470	6.92
8	A	1440	1416	10.64
9	A	1368	1346	2.83
10	A	1355	1332	1.92
11	A	1214	1194	12.64
12	A	1186	1167	11.76
13	A	1065	1048	6.20
14	A	1043	1026	4.81
15	A	962	946	2.17
16	A	854	840	14.04
17	A	750	738	0.23
18	A	676	665	1.14
19	A	552	543	0.75
20	A	297	292	0.86
21	A	3025	2976	7.98
22	A	1425	1402	14.27
23	A	1015	999	2.32
24	A	849	835	0.33
25	A	775	762	15.24
26	A	657	647	84.87
27	A	563	554	1.11
28	A	468	460	8.52
29	A	227	224	4.16
30	A	86	84	0.22

Atom	x (Å)	y (Å)	z (Å)
H1	-2.381	-1.558	0.000
C2	-1.425	-1.029	0.000
H3	-2.141	1.071	0.000
C4	-1.296	0.377	0.000
C5	0.000	0.810	0.000
H6	-0.012	-2.734	0.000
C7	-0.220	-1.665	0.000
S8	1.076	-0.541	0.000
H9	-0.333	2.904	0.000
H10	1.126	2.418	0.887
H11	1.126	2.418	-0.887
C12	0.509	2.196	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0924	2.6400	2.2184	3.3576	2.6442	2.1631	3.6029	4.9097	5.3748	5.3748	4.7376
C2	1.0924		2.2186	1.4118	2.3261	2.2144	1.3623	2.5478	4.0818	4.3786	4.3786	3.7605
H3	2.6400	2.2186		1.0937	2.1573	4.3601	3.3428	3.5982	2.5751	3.6433	3.6433	2.8796
C4	2.2184	1.4118	1.0937		1.3663	3.3655	2.3078	2.5431	2.7044	3.2888	3.2888	2.5628
C5	3.3576	2.3261	2.1573	1.3663		3.5436	2.4840	1.7265	2.1209	2.1542	2.1542	1.4770
H6	2.6442	2.2144	4.3601	3.3655	3.5436		1.0894	2.4481	5.6473	5.3501	5.3501	4.9574
C7	2.1631	1.3623	3.3428	2.3078	2.4840	1.0894		1.7151	4.5702	4.3891	4.3891	3.9289
S8	3.6029	2.5478	3.5982	2.5431	1.7265	2.4481	1.7151		3.7220	3.0894	3.0894	2.7948
H9	4.9097	4.0818	2.5751	2.7044	2.1209	5.6473	4.5702	3.7220		1.7751	1.7751	1.1005
H10	5.3748	4.3786	3.6433	3.2888	2.1542	5.3501	4.3891	3.0894	1.7751		1.7746	1.1028
H11	5.3748	4.3786	3.6433	3.2888	2.1542	5.3501	4.3891	3.0894	1.7751	1.7746		1.1028
C12	4.7376	3.7605	2.8796	2.5628	1.4770	4.9574	3.9289	2.7948	1.1005	1.1028	1.1028

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.222	H1	C2	C7	123.202
C2	C4	H3	124.139	C2	C4	C5	113.698
C2	C7	H6	128.818	C2	C7	S8	111.250
H3	C4	C5	122.162	C4	C2	C7	112.576
C4	C5	S8	110.080	C4	C5	C12	128.628
C5	S8	C7	92.396	C5	C12	H9	109.886
C5	C12	H10	112.430	C5	C12	H11	112.430
H6	C7	S8	119.931	S8	C5	C12	121.293
H9	C12	H10	107.347	H9	C12	H11	107.347
H10	C12	H11	107.137

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

using model chemistry: LSDA/6-311G*

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	0.220
2	C	-0.206
3	H	0.219
4	C	-0.182
5	C	-0.205
6	H	0.252
7	C	-0.444
8	S	0.323
9	H	0.260
10	H	0.265
11	H	0.265
12	C	-0.767

	x	y	z	Total
	-0.338	0.562	0.000	0.656
CHELPG
AIM
ESP

	x	y	z
x	11.932	0.470	0.000
y	0.470	12.574	0.000
z	0.000	0.000	5.475

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/6-311G*

States and conformations

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