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	hartrees
Energy at 0K	-591.236754
Energy at 298.15K	-591.242801
HF Energy	-590.391870
Nuclear repulsion energy	270.083601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3115	0.86
2	A'	3267	3105	0.71
3	A'	3233	3072	3.68
4	A'	3168	3010	14.48
5	A'	3071	2918	30.31
6	A'	1578	1499	2.18
7	A'	1518	1443	9.11
8	A'	1439	1367	6.03
9	A'	1434	1363	4.64
10	A'	1421	1350	0.27
11	A'	1265	1202	4.20
12	A'	1199	1139	2.47
13	A'	1104	1049	5.21
14	A'	1018	968	8.10
15	A'	957	909	4.04
16	A'	906	861	14.82
17	A'	873	829	8.43
18	A'	677	643	0.14
19	A'	552	524	0.16
20	A'	315	299	0.74
21	A"	3149	2992	16.36
22	A"	1499	1425	6.76
23	A"	1061	1008	0.48
24	A"	824	783	0.00
25	A"	724	688	94.87
26	A"	638	606	0.59
27	A"	524	498	4.42
28	A"	443	420	0.62
29	A"	225	214	4.30
30	A"	88	84	0.09

Atom	x (Å)	y (Å)	z (Å)
H1	-2.215	0.808	0.000
C2	-1.253	0.305	0.000
C3	0.000	0.984	0.000
C4	1.053	0.089	0.000
H5	-1.902	-1.815	0.000
C6	-1.121	-1.067	0.000
S7	0.526	-1.542	0.000
H8	1.212	2.763	0.000
H9	-0.313	2.923	0.885
H10	-0.313	2.923	-0.885
C11	0.156	2.480	0.000
H12	2.111	0.318	0.000

	H1	C2	C3	C4	H5	C6	S7	H8	H9	H10	C11	H12
H1		1.0852	2.2216	3.3455	2.6418	2.1711	3.6102	3.9448	2.9778	2.9778	2.9008	4.3531
C2	1.0852		1.4251	2.3158	2.2175	1.3788	2.5646	3.4807	2.9181	2.9181	2.5914	3.3638
C3	2.2216	1.4251		1.3819	3.3845	2.3376	2.5804	2.1522	2.1535	2.1535	1.5041	2.2136
C4	3.3455	2.3158	1.3819		3.5153	2.4618	1.7139	2.6787	3.2677	3.2677	2.5540	1.0825
H5	2.6418	2.2175	3.3845	3.5153		1.0818	2.4436	5.5367	5.0746	5.0746	4.7630	4.5446
C6	2.1711	1.3788	2.3376	2.4618	1.0818		1.7138	4.4845	4.1656	4.1656	3.7702	3.5158
S7	3.6102	2.5646	2.5804	1.7139	2.4436	1.7138		4.3592	4.6281	4.6281	4.0393	2.4434
H8	3.9448	3.4807	2.1522	2.6787	5.5367	4.4845	4.3592		1.7704	1.7704	1.0932	2.6053
H9	2.9778	2.9181	2.1535	3.2677	5.0746	4.1656	4.6281	1.7704		1.7691	1.0946	3.6667
H10	2.9778	2.9181	2.1535	3.2677	5.0746	4.1656	4.6281	1.7704	1.7691		1.0946	3.6667
C11	2.9008	2.5914	1.5041	2.5540	4.7630	3.7702	4.0393	1.0932	1.0946	1.0946		2.9153
H12	4.3531	3.3638	2.2136	1.0825	4.5446	3.5158	2.4434	2.6053	3.6667	3.6667	2.9153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	123.938	H1	C2	C6	123.111
C2	C3	C4	111.168	C2	C3	C11	124.400
C2	C6	H5	128.234	C2	C6	S7	111.588
C3	C2	C6	112.950	C3	C4	S7	112.479
C3	C4	H12	127.427	C3	C11	H8	110.930
C3	C11	H9	110.943	C3	C11	H10	110.943
C4	C3	C11	124.432	C4	S7	C6	91.815
H5	C6	S7	120.178	S7	C4	H12	120.094
H8	C11	H9	108.040	H8	C11	H10	108.040
H9	C11	H10	107.815

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

using model chemistry: MP2/6-311G**

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

using model chemistry: MP2/6-311G**

States and conformations

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