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	hartrees
Energy at 0K	-591.129854
Energy at 298.15K	-591.136043
HF Energy	-590.327911
Nuclear repulsion energy	269.656271

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	3113	1.16
2	A'	3305	3102	1.14
3	A'	3262	3062	4.52
4	A'	3187	2992	14.98
5	A'	3099	2909	25.95
6	A'	1670	1568	1.63
7	A'	1560	1464	11.01
8	A'	1525	1432	8.90
9	A'	1479	1389	2.57
10	A'	1459	1369	3.67
11	A'	1302	1222	5.00
12	A'	1226	1151	1.84
13	A'	1148	1077	3.59
14	A'	1045	980	8.14
15	A'	972	912	2.64
16	A'	897	842	13.60
17	A'	865	812	13.52
18	A'	682	640	0.64
19	A'	557	523	0.78
20	A'	324	304	0.80
21	A"	3165	2971	17.96
22	A"	1543	1448	6.37
23	A"	1090	1023	1.96
24	A"	867	814	1.30
25	A"	766	719	81.04
26	A"	692	650	3.47
27	A"	574	539	5.50
28	A"	453	425	0.06
29	A"	233	218	2.67
30	A"	111	104	0.06

Atom	x (Å)	y (Å)	z (Å)
H1	-2.221	0.785	0.000
C2	-1.258	0.285	0.000
C3	0.000	0.983	0.000
C4	1.051	0.112	0.000
H5	-1.894	-1.821	0.000
C6	-1.116	-1.070	0.000
S7	0.546	-1.543	0.000
H8	1.173	2.787	0.000
H9	-0.356	2.917	0.884
H10	-0.356	2.917	-0.884
C11	0.124	2.482	0.000
H12	2.106	0.353	0.000

	H1	C2	C3	C4	H5	C6	S7	H8	H9	H10	C11	H12
H1		1.0851	2.2296	3.3407	2.6268	2.1594	3.6164	3.9408	2.9672	2.9672	2.8941	4.3483
C2	1.0851		1.4385	2.3156	2.2003	1.3627	2.5685	3.4890	2.9193	2.9193	2.5954	3.3645
C3	2.2296	1.4385		1.3655	3.3840	2.3371	2.5846	2.1524	2.1559	2.1559	1.5042	2.1982
C4	3.3407	2.3156	1.3655		3.5230	2.4688	1.7300	2.6787	3.2605	3.2605	2.5456	1.0820
H5	2.6268	2.2003	3.3840	3.5230		1.0813	2.4564	5.5363	5.0596	5.0596	4.7529	4.5529
C6	2.1594	1.3627	2.3371	2.4688	1.0813		1.7285	4.4861	4.1543	4.1543	3.7626	3.5225
S7	3.6164	2.5685	2.5846	1.7300	2.4564	1.7285		4.3757	4.6355	4.6355	4.0474	2.4551
H8	3.9408	3.4890	2.1524	2.6787	5.5363	4.4861	4.3757		1.7707	1.7707	1.0933	2.6070
H9	2.9672	2.9193	2.1559	3.2605	5.0596	4.1543	4.6355	1.7707		1.7672	1.0953	3.6626
H10	2.9672	2.9193	2.1559	3.2605	5.0596	4.1543	4.6355	1.7707	1.7672		1.0953	3.6626
C11	2.8941	2.5954	1.5042	2.5456	4.7529	3.7626	4.0474	1.0933	1.0953	1.0953		2.9091
H12	4.3483	3.3645	2.1982	1.0820	4.5529	3.5225	2.4551	2.6070	3.6626	3.6626	2.9091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	123.523	H1	C2	C6	123.416
C2	C3	C4	111.316	C2	C3	C11	123.743
C2	C6	H5	128.020	C2	C6	S7	111.841
C3	C2	C6	113.061	C3	C4	S7	112.689
C3	C4	H12	127.449	C3	C11	H8	110.934
C3	C11	H9	111.089	C3	C11	H10	111.089
C4	C3	C11	124.941	C4	S7	C6	91.094
H5	C6	S7	120.139	S7	C4	H12	119.862
H8	C11	H9	108.015	H8	C11	H10	108.015
H9	C11	H10	107.553

All results from a given calculation for C₅H₆S (Thiophene, 3-methyl-)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for C5H6S (Thiophene, 3-methyl-)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₅H₆S (Thiophene, 3-methyl-)