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	hartrees
Energy at 0K	-553.136681
Energy at 298.15K	-553.143670
HF Energy	-552.462221
Nuclear repulsion energy	217.411452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3319	3108	7.37
2	A	3291	3082	0.79
3	A	3235	3029	9.14
4	A	3184	2982	20.88
5	A	3153	2953	16.67
6	A	3103	2906	30.55
7	A	1653	1548	8.33
8	A	1542	1444	0.55
9	A	1525	1428	1.71
10	A	1383	1295	0.52
11	A	1370	1283	4.26
12	A	1323	1239	15.74
13	A	1239	1160	1.70
14	A	1183	1108	0.27
15	A	1149	1076	1.43
16	A	1055	988	4.70
17	A	1037	971	2.25
18	A	955	895	2.06
19	A	920	862	1.08
20	A	893	836	1.38
21	A	821	769	20.41
22	A	719	674	5.62
23	A	698	654	26.11
24	A	663	621	21.09
25	A	509	476	0.63
26	A	411	385	2.52
27	A	190	178	1.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.065	-1.245	0.234
H2	-0.079	-1.454	1.304
H3	0.138	-2.166	-0.307
C4	-1.373	-0.576	-0.195
H5	-2.217	-1.001	0.349
H6	-1.554	-0.739	-1.264
C7	0.106	1.274	0.086
H8	0.472	2.284	0.188
C9	-1.182	0.895	0.066
H10	-2.006	1.591	0.136
S11	1.270	-0.037	-0.097

	C1	H2	H3	C4	H5	H6	C7	H8	C9	H10	S11
C1		1.0900	1.0876	1.5308	2.1693	2.1719	2.5288	3.5701	2.4200	3.4378	1.8304
H2	1.0900		1.7747	2.1662	2.3850	3.0461	2.9926	3.9399	2.8752	3.7875	2.4059
H3	1.0876	1.7747		2.1965	2.7089	2.4117	3.4626	4.4904	3.3547	4.3484	2.4204
C4	1.5308	2.1662	2.1965		1.0906	1.0956	2.3850	3.4253	1.5066	2.2817	2.6996
H5	2.1693	2.3850	2.7089	1.0906		1.7634	3.2613	4.2481	2.1785	2.6086	3.6455
H6	2.1719	3.0461	2.4117	1.0956	1.7634		2.9375	3.9181	2.1393	2.7552	3.1358
C7	2.5288	2.9926	3.4626	2.3850	3.2613	2.9375		1.0796	1.3420	2.1354	1.7634
H8	3.5701	3.9399	4.4904	3.4253	4.2481	3.9181	1.0796		2.1631	2.5732	2.4716
C9	2.4200	2.8752	3.3547	1.5066	2.1785	2.1393	1.3420	2.1631		1.0806	2.6286
H10	3.4378	3.7875	4.3484	2.2817	2.6086	2.7552	2.1354	2.5732	1.0806		3.6658
S11	1.8304	2.4059	2.4204	2.6996	3.6455	3.1358	1.7634	2.4716	2.6286	3.6658

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	H5	110.573	C1	C4	H6	110.485
C1	C4	C9	105.638	C1	S11	C7	89.423
H2	C1	H3	109.175	H2	C1	C4	110.357
H2	C1	S11	108.249	H3	C1	C4	112.955
H3	C1	S11	109.445	C4	C1	S11	106.530
C4	C9	C7	113.576	C4	C9	H10	122.903
H5	C4	H6	107.534	H5	C4	C9	113.050
H6	C4	C9	109.581	C7	C9	H10	123.283
H8	C7	C9	126.226	H8	C7	S11	118.785
C9	C7	S11	114.982

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)

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

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 C4H6S (Thiophene, 2,3-dihydro-)

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

States and conformations

All results from a given calculation for C₄H₆S (Thiophene, 2,3-dihydro-)