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	hartrees
Energy at 0K	-592.247324
Energy at 298.15K	-592.253310
Nuclear repulsion energy	268.828613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3174	3168	0.83
2	A	3132	3126	7.65
3	A	3116	3110	7.89
4	A	3030	3025	13.55
5	A	2949	2943	39.06
6	A	1525	1523	1.75
7	A	1440	1437	4.44
8	A	1429	1426	11.72
9	A	1358	1356	0.07
10	A	1326	1324	1.85
11	A	1211	1209	10.09
12	A	1130	1128	8.51
13	A	1058	1056	1.42
14	A	1030	1028	4.85
15	A	956	954	2.52
16	A	814	813	10.40
17	A	708	706	1.25
18	A	630	629	1.85
19	A	531	530	0.45
20	A	297	296	0.81
21	A	2998	2992	15.21
22	A	1414	1412	7.20
23	A	1016	1014	0.22
24	A	855	853	0.36
25	A	785	784	16.57
26	A	661	660	66.50
27	A	556	555	0.51
28	A	457	456	4.91
29	A	223	223	2.76
30	A	107	106	0.10

Atom	x (Å)	y (Å)	z (Å)
H1	-2.424	-1.555	0.000
C2	-1.458	-1.037	0.000
H3	-2.163	1.088	0.000
C4	-1.314	0.395	0.000
C5	0.000	0.829	0.000
H6	-0.048	-2.773	0.000
C7	-0.246	-1.698	0.000
S8	1.100	-0.563	0.000
H9	-0.320	2.952	0.000
H10	1.148	2.454	0.892
H11	1.148	2.454	-0.892
C12	0.528	2.243	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0959	2.6560	2.2430	3.3995	2.6698	2.1827	3.6607	4.9734	5.4426	5.4426	4.8094
C2	1.0959		2.2398	1.4391	2.3681	2.2360	1.3804	2.6013	4.1481	4.4467	4.4467	3.8339
H3	2.6560	2.2398		1.0965	2.1789	4.4029	3.3826	3.6573	2.6212	3.6911	3.6911	2.9281
C4	2.2430	1.4391	1.0965		1.3842	3.4113	2.3498	2.5972	2.7436	3.3315	3.3315	2.6092
C5	3.3995	2.3681	2.1789	1.3842		3.6022	2.5390	1.7739	2.1465	2.1804	2.1804	1.5089
H6	2.6698	2.2360	4.4029	3.4113	3.6022		1.0929	2.4905	5.7310	5.4357	5.4357	5.0484
C7	2.1827	1.3804	3.3826	2.3498	2.5390	1.0929		1.7607	4.6503	4.4697	4.4697	4.0159
S8	3.6607	2.6013	3.6573	2.5972	1.7739	2.4905	1.7607		3.7902	3.1463	3.1463	2.8631
H9	4.9734	4.1481	2.6212	2.7436	2.1465	5.7310	4.6503	3.7902		1.7880	1.7880	1.1047
H10	5.4426	4.4467	3.6911	3.3315	2.1804	5.4357	4.4697	3.1463	1.7880		1.7848	1.1071
H11	5.4426	4.4467	3.6911	3.3315	2.1804	5.4357	4.4697	3.1463	1.7880	1.7848		1.1071
C12	4.8094	3.8339	2.9281	2.6092	1.5089	5.0484	4.0159	2.8631	1.1047	1.1071	1.1071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.896	H1	C2	C7	123.220
C2	C4	H3	123.537	C2	C4	C5	114.005
C2	C7	H6	129.027	C2	C7	S8	111.243
H3	C4	C5	122.459	C4	C2	C7	112.884
C4	C5	S8	110.034	C4	C5	C12	128.755
C5	S8	C7	91.834	C5	C12	H9	109.457
C5	C12	H10	112.011	C5	C12	H11	112.011
H6	C7	S8	119.730	S8	C5	C12	121.211
H9	C12	H10	107.878	H9	C12	H11	107.878
H10	C12	H11	107.432

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

using model chemistry: BLYP/aug-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	-0.682
2	C	0.602
3	H	-0.867
4	C	1.684
5	C	-0.258
6	H	-0.722
7	C	0.300
8	S	0.043
9	H	-0.395
10	H	-0.214
11	H	-0.214
12	C	0.723

	x	y	z
x	13.669	0.560	0.000
y	0.560	14.639	0.000
z	0.000	0.000	8.243

<r²>	182.228
(<r²>)^1/2	13.499

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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