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	hartrees
Energy at 0K	-590.339697
Energy at 298.15K	-590.346253
Nuclear repulsion energy	273.597053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3424	3090	3.40
2	A	3384	3054	9.76
3	A	3367	3039	12.23
4	A	3271	2952	20.32
5	A	3187	2877	37.55
6	A	1770	1598	4.07
7	A	1655	1493	13.21
8	A	1620	1463	8.41
9	A	1552	1401	2.07
10	A	1506	1360	0.06
11	A	1385	1250	10.49
12	A	1265	1141	16.06
13	A	1205	1088	0.70
14	A	1129	1019	0.56
15	A	1079	974	1.10
16	A	918	829	16.93
17	A	800	722	0.82
18	A	713	644	5.10
19	A	590	533	0.83
20	A	326	294	0.98
21	A	3246	2930	24.03
22	A	1607	1451	6.82
23	A	1163	1049	0.38
24	A	1045	943	0.41
25	A	949	856	8.82
26	A	802	724	74.56
27	A	617	557	0.01
28	A	516	466	4.08
29	A	252	228	3.28
30	A	123	111	0.21

Atom	x (Å)	y (Å)	z (Å)
H1	-2.379	-1.531	0.000
C2	-1.429	-1.029	0.000
H3	-2.114	1.083	0.000
C4	-1.283	0.401	0.000
C5	0.000	0.809	0.000
H6	-0.071	-2.725	0.000
C7	-0.249	-1.669	0.000
S8	1.075	-0.557	0.000
H9	-0.299	2.915	0.000
H10	1.136	2.409	0.877
H11	1.136	2.409	-0.877
C12	0.527	2.214	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0740	2.6276	2.2218	3.3368	2.5981	2.1341	3.5887	4.9092	5.3527	5.3527	4.7403
C2	1.0740		2.2204	1.4382	2.3284	2.1725	1.3423	2.5486	4.1036	4.3789	4.3789	3.7876
H3	2.6276	2.2204		1.0747	2.1317	4.3212	3.3240	3.5861	2.5793	3.6180	3.6180	2.8728
C4	2.2218	1.4382	1.0747		1.3461	3.3530	2.3139	2.5455	2.6998	3.2637	3.2637	2.5614
C5	3.3368	2.3284	2.1317	1.3461		3.5343	2.4899	1.7382	2.1280	2.1498	2.1498	1.5008
H6	2.5981	2.1725	4.3212	3.3530	3.5343		1.0711	2.4522	5.6451	5.3468	5.3468	4.9750
C7	2.1341	1.3423	3.3240	2.3139	2.4899	1.0711		1.7290	4.5845	4.3954	4.3954	3.9595
S8	3.5887	2.5486	3.5861	2.5455	1.7382	2.4522	1.7290		3.7346	3.0941	3.0941	2.8248
H9	4.9092	4.1036	2.5793	2.6998	2.1280	5.6451	4.5845	3.7346		1.7561	1.7561	1.0836
H10	5.3527	4.3789	3.6180	3.2637	2.1498	5.3468	4.3954	3.0941	1.7561		1.7540	1.0855
H11	5.3527	4.3789	3.6180	3.2637	2.1498	5.3468	4.3954	3.0941	1.7561	1.7540		1.0855
C12	4.7403	3.7876	2.8728	2.5614	1.5008	4.9750	3.9595	2.8248	1.0836	1.0855	1.0855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.705	H1	C2	C7	123.689
C2	C4	H3	123.513	C2	C4	C5	113.452
C2	C7	H6	128.013	C2	C7	S8	111.542
H3	C4	C5	123.035	C4	C2	C7	112.606
C4	C5	S8	110.599	C4	C5	C12	128.160
C5	S8	C7	91.801	C5	C12	H9	109.798
C5	C12	H10	111.444	C5	C12	H11	111.444
H6	C7	S8	120.444	S8	C5	C12	121.241
H9	C12	H10	108.116	H9	C12	H11	108.116
H10	C12	H11	107.797

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

using model chemistry: HF/6-31G**

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	CHELPG
1	H	0.154	0.113
2	C	-0.111	-0.099
3	H	0.148	0.135
4	C	-0.130	-0.162
5	C	-0.220	0.021
6	H	0.176	0.196
7	C	-0.364	-0.220
8	S	0.274	-0.060
9	H	0.134	0.022
10	H	0.139	0.048
11	H	0.139	0.048
12	C	-0.339	-0.042

	x	y	z	Total
	-0.783	0.516	0.000	0.938
CHELPG
AIM
ESP

	x	y	z
x	10.884	0.301	0.000
y	0.301	10.768	0.000
z	0.000	0.000	4.955

<r²>	176.507
(<r²>)^1/2	13.286

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

using model chemistry: HF/6-31G**

States and conformations

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