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	hartrees
Energy at 0K	-43.203825
Energy at 298.15K	-43.215953
Nuclear repulsion energy	134.957124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3321	2982	62.26
2	A	3302	2965	99.45
3	A	3284	2949	81.24
4	A	3278	2944	65.72
5	A	3271	2938	26.18
6	A	3260	2928	59.29
7	A	3253	2921	5.44
8	A	3232	2903	56.64
9	A	3220	2892	74.61
10	A	3213	2885	32.46
11	A	1645	1477	0.35
12	A	1625	1459	4.74
13	A	1623	1457	1.71
14	A	1618	1453	4.73
15	A	1616	1451	2.65
16	A	1551	1393	0.86
17	A	1516	1362	1.15
18	A	1482	1331	1.37
19	A	1440	1293	4.81
20	A	1432	1286	8.90
21	A	1404	1261	38.07
22	A	1344	1207	5.24
23	A	1311	1177	4.35
24	A	1263	1134	1.26
25	A	1194	1072	0.30
26	A	1161	1043	2.99
27	A	1119	1005	4.16
28	A	1103	991	0.58
29	A	1044	938	1.82
30	A	1026	922	2.77
31	A	958	860	1.10
32	A	922	828	1.97
33	A	909	817	2.63
34	A	757	680	3.94
35	A	699	628	5.07
36	A	560	503	0.28
37	A	493	443	0.07
38	A	435	390	0.49
39	A	300	270	0.70
40	A	270	242	0.12
41	A	255	229	0.21
42	A	95	85	1.73

Atom	x (Å)	y (Å)	z (Å)
C1	2.260	0.050	0.190
H2	2.210	0.188	1.271
H3	2.810	-0.871	-0.019
H4	2.825	0.881	-0.233
S5	-0.110	1.517	-0.122
C6	-1.688	0.650	0.251
H7	-2.500	1.125	-0.293
H8	-1.894	0.725	1.317
C9	0.851	-0.032	-0.416
H10	0.935	-0.167	-1.494
C11	-1.478	-0.819	-0.170
H12	-1.641	-0.919	-1.244
H13	-2.185	-1.476	0.338
C14	-0.019	-1.162	0.167
H15	0.280	-2.128	-0.244
H16	0.113	-1.204	1.250

	C1	H2	H3	H4	S5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
C1		1.0905	1.0933	1.0909	2.8044	3.9934	4.9039	4.3561	1.5363	2.1535	3.8547	4.2680	4.7015	2.5809	2.9755	2.7027
H2	1.0905		1.7738	1.7671	3.0146	4.0554	5.0507	4.1389	2.1778	3.0650	4.0858	4.7311	4.7908	2.8300	3.3742	2.5172
H3	1.0933	1.7738		1.7656	3.7734	4.7556	5.6797	5.1436	2.1680	2.4870	4.2913	4.6170	5.0439	2.8497	2.8340	2.9993
H4	1.0909	1.7671	1.7656		3.0050	4.5447	5.3312	4.9692	2.1827	2.5016	4.6274	4.9205	5.5660	3.5244	3.9413	3.7289
S5	2.8044	3.0146	3.7734	3.0050		1.8387	2.4283	2.4246	1.8461	2.4100	2.7072	3.0885	3.6704	2.6955	3.6677	3.0551
C6	3.9934	4.0554	4.7556	4.5447	1.8387		1.0870	1.0881	2.7120	3.2542	1.5417	2.1677	2.1843	2.4645	3.4398	2.7705
H7	4.9039	5.0507	5.6797	5.3312	2.4283	1.0870		1.7656	3.5475	3.8620	2.1994	2.4132	2.6946	3.4056	4.2796	3.8251
H8	4.3561	4.1389	5.1436	4.9692	2.4246	1.0881	1.7656		3.3331	4.0861	2.1832	3.0538	2.4261	2.8980	3.9117	2.7842
C9	1.5363	2.1778	2.1680	2.1827	1.8461	2.7120	3.5475	3.3331		1.0889	2.4708	2.7719	3.4452	1.5404	2.1794	2.1668
H10	2.1535	3.0650	2.4870	2.5016	2.4100	3.2542	3.8620	4.0861	1.0889		2.8287	2.6957	3.8474	2.1577	2.4159	3.0460
C11	3.8547	4.0858	4.2913	4.6274	2.7072	1.5417	2.1994	2.1832	2.4708	2.8287		1.0909	1.0905	1.5367	2.1936	2.1671
H12	4.2680	4.7311	4.6170	4.9205	3.0885	2.1677	2.4132	3.0538	2.7719	2.6957	1.0909		1.7630	2.1636	2.4802	3.0622
H13	4.7015	4.7908	5.0439	5.5660	3.6704	2.1843	2.6946	2.4261	3.4452	3.8474	1.0905	1.7630		2.1954	2.6152	2.4867
C14	2.5809	2.8300	2.8497	3.5244	2.6955	2.4645	3.4056	2.8980	1.5404	2.1577	1.5367	2.1636	2.1954		1.0917	1.0920
H15	2.9755	3.3742	2.8340	3.9413	3.6677	3.4398	4.2796	3.9117	2.1794	2.4159	2.1936	2.4802	2.6152	1.0917		1.7646
H16	2.7027	2.5172	2.9993	3.7289	3.0551	2.7705	3.8251	2.7842	2.1668	3.0460	2.1671	3.0622	2.4867	1.0920	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	S5	111.691	C1	C9	H10	109.050
C1	C9	C14	114.042	H2	C1	H3	108.634
H2	C1	H4	108.206	H2	C1	C9	110.868
H3	C1	H4	107.870	H3	C1	C9	109.929
H4	C1	C9	111.239	S5	C6	H7	109.498
S5	C6	H8	109.165	S5	C6	C11	106.089
S5	C9	H10	107.583	S5	C9	C14	105.137
C6	S5	C9	94.782	C6	C11	H12	109.670
C6	C11	H13	111.009	C6	C11	C14	106.370
H7	C6	H8	108.533	H7	C6	C11	112.436
H8	C6	C11	111.058	C9	C14	C11	106.829
C9	C14	H15	110.636	C9	C14	H16	109.620
H10	C9	C14	109.093	C11	C14	H15	112.029
C11	C14	H16	109.902	H12	C11	H13	107.844
H12	C11	C14	109.690	H13	C11	C14	112.248
H15	C14	H16	107.820

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.274
2	H	0.116
3	H	0.103
4	H	0.137
5	S	-0.154
6	C	-0.310
7	H	0.158
8	H	0.124
9	C	-0.188
10	H	0.129
11	C	-0.104
12	H	0.085
13	H	0.156
14	C	-0.208
15	H	0.133
16	H	0.098

	x	y	z	Total
	-0.450	-2.285	0.076	2.330
CHELPG
AIM
ESP

	x	y	z
x	11.097	-0.075	-0.363
y	-0.075	10.094	0.051
z	-0.363	0.051	7.430

<r²>	157.344
(<r²>)^1/2	12.544

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

using model chemistry: HF/CEP-31G*

States and conformations

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