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	hartrees
Energy at 0K	-592.432460
Energy at 298.15K	-592.438631
HF Energy	-592.432460
Nuclear repulsion energy	272.806712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3142	0.61
2	A'	3205	3101	5.64
3	A'	3188	3084	6.77
4	A'	3101	3001	11.95
5	A'	3026	2928	32.19
6	A'	1586	1534	1.81
7	A'	1497	1448	2.54
8	A'	1482	1434	15.90
9	A'	1420	1374	0.05
10	A'	1382	1337	1.09
11	A'	1265	1224	9.58
12	A'	1172	1134	9.18
13	A'	1102	1066	1.53
14	A'	1064	1030	3.58
15	A'	994	961	2.00
16	A'	853	825	12.07
17	A'	745	721	0.72
18	A'	663	641	1.75
19	A'	552	534	0.52
20	A'	303	293	0.82
21	A"	3071	2971	12.42
22	A"	1481	1433	7.98
23	A"	1064	1030	0.36
24	A"	921	891	0.11
25	A"	841	814	14.00
26	A"	707	684	71.07
27	A"	579	560	0.09
28	A"	480	464	5.48
29	A"	233	226	2.93
30	A"	88	85	0.13

Atom	x (Å)	y (Å)	z (Å)
H1	-2.384	-1.542	0.000
C2	-1.433	-1.030	0.000
H3	-2.132	1.071	0.000
C4	-1.295	0.388	0.000
C5	0.000	0.815	0.000
H6	-0.044	-2.735	0.000
C7	-0.237	-1.676	0.000
S8	1.081	-0.553	0.000
H9	-0.316	2.918	0.000
H10	1.130	2.424	0.880
H11	1.130	2.424	-0.880
C12	0.519	2.217	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0797	2.6249	2.2155	3.3519	2.6265	2.1512	3.6027	4.9155	5.3713	5.3713	4.7485
C2	1.0797		2.2145	1.4245	2.3360	2.1989	1.3593	2.5583	4.1028	4.3905	4.3905	3.7881
H3	2.6249	2.2145		1.0807	2.1472	4.3410	3.3372	3.5994	2.5899	3.6395	3.6395	2.8873
C4	2.2155	1.4245	1.0807		1.3634	3.3637	2.3189	2.5546	2.7128	3.2867	3.2867	2.5755
C5	3.3519	2.3360	2.1472	1.3634		3.5499	2.5019	1.7428	2.1263	2.1545	2.1545	1.4947
H6	2.6265	2.1989	4.3410	3.3637	3.5499		1.0764	2.4549	5.6589	5.3637	5.3637	4.9833
C7	2.1512	1.3593	3.3372	2.3189	2.5019	1.0764		1.7311	4.5941	4.4106	4.4106	3.9651
S8	3.6027	2.5583	3.5994	2.5546	1.7428	2.4549	1.7311		3.7406	3.1046	3.1046	2.8257
H9	4.9155	4.1028	2.5899	2.7128	2.1263	5.6589	4.5941	3.7406		1.7631	1.7631	1.0896
H10	5.3713	4.3905	3.6395	3.2867	2.1545	5.3637	4.4106	3.1046	1.7631		1.7601	1.0916
H11	5.3713	4.3905	3.6395	3.2867	2.1545	5.3637	4.4106	3.1046	1.7631	1.7601		1.0916
C12	4.7485	3.7881	2.8873	2.5755	1.4947	4.9833	3.9651	2.8257	1.0896	1.0916	1.0916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.844	H1	C2	C7	123.362
C2	C4	H3	123.667	C2	C4	C5	113.825
C2	C7	H6	128.677	C2	C7	S8	111.187
H3	C4	C5	122.508	C4	C2	C7	112.795
C4	C5	S8	110.055	C4	C5	C12	128.559
C5	S8	C7	92.138	C5	C12	H9	109.738
C5	C12	H10	111.883	C5	C12	H11	111.883
H6	C7	S8	120.137	S8	C5	C12	121.386
H9	C12	H10	107.858	H9	C12	H11	107.858
H10	C12	H11	107.446

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

using model chemistry: B3LYP/aug-cc-pVTZ

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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