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	hartrees
Energy at 0K	-593.512662
Energy at 298.15K	-593.524616
HF Energy	-592.679459
Nuclear repulsion energy	310.905962

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	2997	15.63
2	A	3190	2994	22.28
3	A	3175	2980	22.20
4	A	3161	2967	31.80
5	A	3151	2958	23.17
6	A	3135	2942	23.36
7	A	3119	2927	9.44
8	A	3109	2918	20.45
9	A	3099	2909	35.07
10	A	3096	2906	6.80
11	A	1570	1473	1.08
12	A	1559	1463	6.76
13	A	1551	1455	5.25
14	A	1550	1455	6.53
15	A	1546	1451	1.72
16	A	1474	1384	4.81
17	A	1436	1348	1.24
18	A	1407	1321	0.42
19	A	1369	1285	1.43
20	A	1363	1279	4.36
21	A	1342	1260	25.96
22	A	1286	1207	3.07
23	A	1248	1171	3.52
24	A	1206	1132	0.45
25	A	1154	1084	0.18
26	A	1120	1051	2.03
27	A	1083	1016	2.39
28	A	1074	1008	1.46
29	A	1010	948	2.34
30	A	991	930	1.93
31	A	935	878	0.72
32	A	896	841	2.24
33	A	882	828	1.31
34	A	726	681	1.30
35	A	669	628	1.91
36	A	546	512	0.56
37	A	473	444	0.06
38	A	426	400	0.50
39	A	296	278	0.77
40	A	266	249	0.12
41	A	253	237	0.19
42	A	86	80	1.46

Atom	x (Å)	y (Å)	z (Å)
C1	-2.267	0.131	0.216
H2	-2.198	0.012	1.301
H3	-2.836	1.042	-0.003
H4	-2.826	-0.720	-0.186
S5	0.116	-1.294	-0.072
C6	1.661	-0.373	0.291
H7	2.499	-0.846	-0.227
H8	1.859	-0.403	1.366
C9	-0.876	0.226	-0.400
H10	-0.969	0.332	-1.487
C11	1.424	1.065	-0.180
H12	1.584	1.132	-1.262
H13	2.119	1.759	0.305
C14	-0.035	1.384	0.142
H15	-0.361	2.336	-0.294
H16	-0.170	1.451	1.229

	C1	H2	H3	H4	S5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
C1		1.0940	1.0959	1.0940	2.7919	3.9618	4.8856	4.3163	1.5242	2.1501	3.8279	4.2452	4.6794	2.5607	2.9586	2.6773
H2	1.0940		1.7797	1.7721	2.9910	4.0079	5.0131	4.0780	2.1648	3.0630	4.0517	4.7040	4.7620	2.8110	3.3638	2.4874
H3	1.0959	1.7797		1.7715	3.7652	4.7240	5.6636	5.0987	2.1598	2.4883	4.2633	4.5970	5.0157	2.8249	2.8074	2.9650
H4	1.0940	1.7721	1.7715		2.9996	4.5256	5.3263	4.9446	2.1768	2.4986	4.6089	4.9027	5.5527	3.5099	3.9269	3.7103
S5	2.7919	2.9910	3.7652	2.9996		1.8346	2.4293	2.4281	1.8442	2.4125	2.6990	3.0751	3.6702	2.6908	3.6674	3.0508
C6	3.9618	4.0079	4.7240	4.5256	1.8346		1.0920	1.0932	2.6977	3.2521	1.5321	2.1642	2.1809	2.4478	3.4312	2.7501
H7	4.8856	5.0131	5.6636	5.3263	2.4293	1.0920		1.7726	3.5457	3.8733	2.1933	2.4127	2.6855	3.3961	4.2788	3.8102
H8	4.3163	4.0780	5.0987	4.9446	2.4281	1.0932	1.7726		3.3157	4.0829	2.1752	3.0553	2.4218	2.8772	3.8962	2.7512
C9	1.5242	2.1648	2.1598	2.1768	1.8442	2.6977	3.5457	3.3157		1.0952	2.4586	2.7605	3.4382	1.5312	2.1749	2.1579
H10	2.1501	3.0630	2.4883	2.4986	2.4125	3.2521	3.8733	4.0829	1.0952		2.8236	2.6858	3.8451	2.1524	2.4103	3.0443
C11	3.8279	4.0517	4.2633	4.6089	2.6990	1.5321	2.1933	2.1752	2.4586	2.8236		1.0961	1.0953	1.5279	2.1940	2.1618
H12	4.2452	4.7040	4.5970	4.9027	3.0751	2.1642	2.4127	3.0553	2.7605	2.6858	1.0961		1.7702	2.1582	2.4841	3.0634
H13	4.6794	4.7620	5.0157	5.5527	3.6702	2.1809	2.6855	2.4218	3.4382	3.8451	1.0953	1.7702		2.1927	2.6159	2.4875
C14	2.5607	2.8110	2.8249	3.5099	2.6908	2.4478	3.3961	2.8772	1.5312	2.1524	1.5279	2.1582	2.1927		1.0960	1.0976
H15	2.9586	3.3638	2.8074	3.9269	3.6674	3.4312	4.2788	3.8962	2.1749	2.4103	2.1940	2.4841	2.6159	1.0960		1.7719
H16	2.6773	2.4874	2.9650	3.7103	3.0508	2.7501	3.8102	2.7512	2.1579	3.0443	2.1618	3.0634	2.4875	1.0976	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	S5	111.612	C1	C9	H10	109.243
C1	C9	C14	113.882	H2	C1	H3	108.722
H2	C1	H4	108.180	H2	C1	C9	110.474
H3	C1	H4	107.984	H3	C1	C9	109.962
H4	C1	C9	111.434	S5	C6	H7	109.594
S5	C6	H8	109.441	S5	C6	C11	106.233
S5	C9	H10	107.570	S5	C9	C14	105.347
C6	S5	C9	94.329	C6	C11	H12	109.749
C6	C11	H13	111.124	C6	C11	C14	106.246
H7	C6	H8	108.427	H7	C6	C11	112.316
H8	C6	C11	110.789	C9	C14	C11	106.971
C9	C14	H15	110.663	C9	C14	H16	109.237
H10	C9	C14	108.942	C11	C14	H15	112.431
C11	C14	H16	109.764	H12	C11	H13	107.762
H12	C11	C14	109.574	H13	C11	C14	112.377
H15	C14	H16	107.751

All results from a given calculation for C₅H₁₀S (Thiophene, tetrahydro-2-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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C5H10S (Thiophene, tetrahydro-2-methyl-)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₅H₁₀S (Thiophene, tetrahydro-2-methyl-)