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	hartrees
Energy at 0K	-590.244410
Energy at 298.15K	-590.250443
Nuclear repulsion energy	274.044667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3184	3145	1.64
2	A	3146	3107	1.16
3	A	3128	3090	3.65
4	A	3059	3022	5.10
5	A	2966	2929	21.39
6	A	1573	1553	5.55
7	A	1490	1472	7.44
8	A	1420	1403	9.56
9	A	1356	1340	1.88
10	A	1341	1325	2.74
11	A	1205	1190	11.58
12	A	1183	1168	12.39
13	A	1059	1046	6.03
14	A	1037	1025	4.53
15	A	954	942	2.14
16	A	853	842	14.01
17	A	750	740	0.20
18	A	675	667	1.07
19	A	552	545	0.75
20	A	297	293	0.87
21	A	3028	2990	5.93
22	A	1403	1385	13.08
23	A	1006	993	2.20
24	A	863	852	0.19
25	A	785	775	13.52
26	A	664	656	81.87
27	A	564	557	0.63
28	A	469	463	8.25
29	A	228	225	4.10
30	A	84	83	0.25

Atom	x (Å)	y (Å)	z (Å)
H1	-2.378	-1.558	0.000
C2	-1.424	-1.029	0.000
H3	-2.140	1.070	0.000
C4	-1.296	0.377	0.000
C5	0.000	0.810	0.000
H6	-0.010	-2.733	0.000
C7	-0.219	-1.665	0.000
S8	1.076	-0.540	0.000
H9	-0.338	2.900	0.000
H10	1.123	2.417	0.888
H11	1.123	2.417	-0.888
C12	0.508	2.197	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0909	2.6397	2.2172	3.3563	2.6437	2.1617	3.6010	4.9032	5.3714	5.3714	4.7363
C2	1.0909		2.2181	1.4117	2.3260	2.2143	1.3625	2.5475	4.0767	4.3765	4.3765	3.7605
H3	2.6397	2.2181		1.0922	2.1554	4.3589	3.3422	3.5964	2.5677	3.6395	3.6395	2.8771
C4	2.2172	1.4117	1.0922		1.3665	3.3650	2.3082	2.5430	2.6992	3.2868	3.2868	2.5627
C5	3.3563	2.3260	2.1554	1.3665		3.5424	2.4843	1.7263	2.1176	2.1524	2.1524	1.4773
H6	2.6437	2.2143	4.3589	3.3650	3.5424		1.0881	2.4463	5.6424	5.3470	5.3470	4.9568
C7	2.1617	1.3625	3.3422	2.3082	2.4843	1.0881		1.7152	4.5667	4.3878	4.3878	3.9298
S8	3.6010	2.5475	3.5964	2.5430	1.7263	2.4463	1.7152		3.7198	3.0882	3.0882	2.7957
H9	4.9032	4.0767	2.5677	2.6992	2.1176	5.6424	4.5667	3.7198		1.7767	1.7767	1.1000
H10	5.3714	4.3765	3.6395	3.2868	2.1524	5.3470	4.3878	3.0882	1.7767		1.7758	1.1024
H11	5.3714	4.3765	3.6395	3.2868	2.1524	5.3470	4.3878	3.0882	1.7767	1.7758		1.1024
C12	4.7363	3.7605	2.8771	2.5627	1.4773	4.9568	3.9298	2.7957	1.1000	1.1024	1.1024

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.235	H1	C2	C7	123.164
C2	C4	H3	124.223	C2	C4	C5	113.687
C2	C7	H6	128.917	C2	C7	S8	111.217
H3	C4	C5	122.090	C4	C2	C7	112.601
C4	C5	S8	110.075	C4	C5	C12	128.579
C5	S8	C7	92.419	C5	C12	H9	109.632
C5	C12	H10	112.287	C5	C12	H11	112.287
H6	C7	S8	119.866	S8	C5	C12	121.346
H9	C12	H10	107.550	H9	C12	H11	107.550
H10	C12	H11	107.308

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	0.128
2	C	-0.118
3	H	0.125
4	C	-0.060
5	C	-0.341
6	H	0.164
7	C	-0.344
8	S	0.310
9	H	0.160
10	H	0.173
11	H	0.173
12	C	-0.369

	x	y	z	Total
	-0.306	0.597	0.000	0.671
CHELPG
AIM
ESP

	x	y	z
x	11.999	0.471	0.000
y	0.471	12.682	0.000
z	0.000	0.000	5.559

<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-)