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	hartrees
Energy at 0K	-593.546836
Energy at 298.15K
HF Energy	-592.694942
Nuclear repulsion energy	314.109389

Atom	x (Å)	y (Å)	z (Å)
S1	-1.462	-0.431	-0.260
C2	1.857	-0.316	-0.827
H3	1.173	-0.224	-1.672
H4	2.633	0.445	-0.926
H5	2.332	-1.297	-0.888
C6	-0.035	-1.158	0.629
H7	0.213	-2.120	0.179
H8	-0.296	-1.317	1.676
C9	1.119	-0.161	0.500
H10	1.823	-0.322	1.322
C11	-0.723	1.242	-0.319
H12	-1.467	1.976	-0.015
H13	-0.405	1.471	-1.336
C14	0.466	1.214	0.641
H15	0.115	1.350	1.667
H16	1.171	2.018	0.414

	S1	C2	H3	H4	H5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
S1		3.3692	2.9971	4.2404	3.9423	1.8322	2.4192	2.4276	2.7045	3.6484	1.8304	2.4202	2.4280	2.6905	3.0619	3.6591
C2	3.3692		1.0912	1.0914	1.0910	2.5310	2.6397	3.4494	1.5257	2.1484	3.0562	4.1189	2.9274	2.5358	3.4684	2.7312
H3	2.9971	1.0912		1.7699	1.7633	2.7617	2.8190	3.8161	2.1733	3.0649	2.7520	3.8155	2.3398	2.8136	3.8400	3.0623
H4	4.2404	1.0914	1.7699		1.7673	3.4791	3.6954	4.2956	2.1660	2.5091	3.5019	4.4707	3.2323	2.7826	3.7263	2.5317
H5	3.9423	1.0910	1.7633	1.7673		2.8147	2.5116	3.6717	2.1649	2.4678	4.0125	5.0902	3.9181	3.4818	4.2952	3.7456
C6	1.8322	2.5310	2.7617	3.4791	2.8147		1.0903	1.0907	1.5307	2.1523	2.6705	3.5059	3.3032	2.4247	2.7187	3.4041
H7	2.4192	2.6397	2.8190	3.6954	2.5116	1.0903		1.7732	2.1823	2.6705	3.5252	4.4320	3.9466	3.3756	3.7768	4.2540
H8	2.4276	3.4494	3.8161	4.2956	3.6717	1.0907	1.7732		2.1730	2.3680	3.2721	3.8825	4.1056	2.8385	2.6981	3.8553
C9	2.7045	1.5257	2.1733	2.1660	2.1649	1.5307	2.1823	2.1730		1.0943	2.4554	3.3943	2.8905	1.5286	2.1573	2.1810
H10	3.6484	2.1484	3.0649	2.5091	2.4678	2.1523	2.6705	2.3680	1.0943		3.4086	4.2304	3.9042	2.1598	2.4154	2.5929
C11	1.8304	3.0562	2.7520	3.5019	4.0125	2.6705	3.5252	3.2721	2.4554	3.4086		1.0891	1.0903	1.5280	2.1578	2.1738
H12	2.4202	4.1189	3.8155	4.4707	5.0902	3.5059	4.4320	3.8825	3.3943	4.2304	1.0891		1.7692	2.1792	2.3925	2.6733
H13	2.4280	2.9274	2.3398	3.2323	3.9181	3.3032	3.9466	4.1056	2.8905	3.9042	1.0903	1.7692		2.1755	3.0502	2.4179
C14	2.6905	2.5358	2.8136	2.7826	3.4818	2.4247	3.3756	2.8385	1.5286	2.1598	1.5280	2.1792	2.1755		1.0931	1.0928
H15	3.0619	3.4684	3.8400	3.7263	4.2952	2.7187	3.7768	2.6981	2.1573	2.4154	2.1578	2.3925	3.0502	1.0931		1.7694
H16	3.6591	2.7312	3.0623	2.5317	3.7456	3.4041	4.2540	3.8553	2.1810	2.5929	2.1738	2.6733	2.4179	1.0928	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C6	H7	109.096	S1	C6	H8	109.688
S1	C6	C9	106.731	S1	C11	H12	109.343
S1	C11	H13	109.858	S1	C11	C14	106.127
C2	C9	C6	111.808	C2	C9	H10	109.059
C2	C9	C14	112.246	H3	C2	H4	108.376
H3	C2	H5	107.812	H3	C2	C9	111.212
H4	C2	H5	108.158	H4	C2	C9	110.619
H5	C2	C9	110.554	C6	S1	C11	93.627
C6	C9	H10	109.026	C6	C9	C14	104.853
H7	C6	H8	108.784	H7	C6	C9	111.637
H8	C6	C9	110.867	C9	C14	C11	106.897
C9	C14	H15	109.620	C9	C14	H16	111.526
H10	C9	C14	109.750	C11	C14	H15	109.708
C11	C14	H16	110.997	H12	C11	H13	108.542
H12	C11	C14	111.652	H13	C11	C14	111.286
H15	C14	H16	108.085

All results from a given calculation for C₅H₁₀S (Thiophene, tetrahydro-3-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-3-methyl-)

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

States and conformations

All results from a given calculation for C₅H₁₀S (Thiophene, tetrahydro-3-methyl-)