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	hartrees
Energy at 0K	-593.548271
Energy at 298.15K
HF Energy	-592.697115
Nuclear repulsion energy	311.786865

Atom	x (Å)	y (Å)	z (Å)
C1	-2.258	0.134	0.215
H2	-2.187	0.015	1.296
H3	-2.820	1.045	-0.004
H4	-2.817	-0.712	-0.187
S5	0.112	-1.291	-0.071
C6	1.655	-0.374	0.290
H7	2.487	-0.845	-0.231
H8	1.854	-0.401	1.362
C9	-0.872	0.227	-0.401
H10	-0.966	0.338	-1.485
C11	1.421	1.060	-0.182
H12	1.579	1.128	-1.261
H13	2.114	1.750	0.305
C14	-0.032	1.380	0.146
H15	-0.355	2.329	-0.290
H16	-0.166	1.441	1.230

	C1	H2	H3	H4	S5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
C1		1.0905	1.0922	1.0903	2.7807	3.9472	4.8663	4.3025	1.5200	2.1449	3.8150	4.2302	4.6623	2.5517	2.9486	2.6679
H2	1.0905		1.7755	1.7679	2.9770	3.9908	4.9924	4.0626	2.1577	3.0545	4.0370	4.6868	4.7427	2.7982	3.3507	2.4746
H3	1.0922	1.7755		1.7662	3.7497	4.7044	5.6390	5.0797	2.1502	2.4765	4.2453	4.5767	4.9941	2.8122	2.7945	2.9543
H4	1.0903	1.7679	1.7662		2.9876	4.5097	5.3057	4.9302	2.1701	2.4920	4.5932	4.8847	5.5328	3.4980	3.9134	3.6973
S5	2.7807	2.9770	3.7497	2.9876		1.8307	2.4218	2.4247	1.8389	2.4106	2.6932	3.0688	3.6599	2.6830	3.6560	3.0385
C6	3.9472	3.9908	4.7044	4.5097	1.8307		1.0892	1.0905	2.6879	3.2443	1.5284	2.1608	2.1733	2.4380	3.4180	2.7373
H7	4.8663	4.9924	5.6390	5.3057	2.4218	1.0892		1.7712	3.5304	3.8594	2.1845	2.4042	2.6764	3.3824	4.2611	3.7947
H8	4.3025	4.0626	5.0797	4.9302	2.4247	1.0905	1.7712		3.3062	4.0741	2.1697	3.0488	2.4110	2.8648	3.8805	2.7362
C9	1.5200	2.1577	2.1502	2.1701	1.8389	2.6879	3.5304	3.3062		1.0933	2.4493	2.7494	3.4251	1.5267	2.1668	2.1521
H10	2.1449	3.0545	2.4765	2.4920	2.4106	3.2443	3.8594	4.0741	1.0933		2.8134	2.6741	3.8315	2.1479	2.4007	3.0375
C11	3.8150	4.0370	4.2453	4.5932	2.6932	1.5284	2.1845	2.1697	2.4493	2.8134		1.0929	1.0921	1.5236	2.1849	2.1579
H12	4.2302	4.6868	4.5767	4.8847	3.0688	2.1608	2.4042	3.0488	2.7494	2.6741	1.0929		1.7679	2.1539	2.4751	3.0578
H13	4.6623	4.7427	4.9941	5.5328	3.6599	2.1733	2.6764	2.4110	3.4251	3.8315	1.0921	1.7679		2.1838	2.6046	2.4796
C14	2.5517	2.7982	2.8122	3.4980	2.6830	2.4380	3.3824	2.8648	1.5267	2.1479	1.5236	2.1539	2.1838		1.0930	1.0946
H15	2.9486	3.3507	2.7945	3.9134	3.6560	3.4180	4.2611	3.8805	2.1668	2.4007	2.1849	2.4751	2.6046	1.0930		1.7708
H16	2.6679	2.4746	2.9543	3.6973	3.0385	2.7373	3.7947	2.7362	2.1521	3.0375	2.1579	3.0578	2.4796	1.0946	1.7708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	S5	111.410	C1	C9	H10	109.230
C1	C9	C14	113.758	H2	C1	H3	108.869
H2	C1	H4	108.319	H2	C1	C9	110.414
H3	C1	H4	108.044	H3	C1	C9	109.712
H4	C1	C9	111.411	S5	C6	H7	109.442
S5	C6	H8	109.593	S5	C6	C11	106.248
S5	C9	H10	107.874	S5	C9	C14	105.347
C6	S5	C9	94.192	C6	C11	H12	109.931
C6	C11	H13	110.967	C6	C11	C14	106.037
H7	C6	H8	108.701	H7	C6	C11	112.040
H8	C6	C11	110.774	C9	C14	C11	106.831
C9	C14	H15	110.514	C9	C14	H16	109.261
H10	C9	C14	109.006	C11	C14	H15	112.193
C11	C14	H16	109.933	H12	C11	H13	108.020
H12	C11	C14	109.724	H13	C11	C14	112.159
H15	C14	H16	108.085

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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