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	hartrees
Energy at 0K	-592.719828
Energy at 298.15K	-592.731527
Nuclear repulsion energy	314.013640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3051	3018	10.74
2	A	3044	3010	7.42
3	A	3037	3003	15.13
4	A	3022	2989	19.92
5	A	3010	2977	20.96
6	A	2981	2948	20.42
7	A	2967	2935	20.80
8	A	2960	2928	19.88
9	A	2957	2925	15.48
10	A	2944	2912	13.21
11	A	1423	1407	3.07
12	A	1417	1401	9.13
13	A	1406	1391	8.94
14	A	1404	1388	11.76
15	A	1398	1382	4.84
16	A	1337	1323	12.01
17	A	1319	1305	1.38
18	A	1298	1284	0.42
19	A	1261	1247	3.19
20	A	1238	1225	1.14
21	A	1225	1212	13.08
22	A	1187	1174	3.57
23	A	1154	1141	9.36
24	A	1136	1124	1.11
25	A	1090	1078	0.58
26	A	1035	1024	0.56
27	A	1020	1009	2.52
28	A	1000	989	3.13
29	A	939	928	2.48
30	A	931	921	2.70
31	A	897	888	0.97
32	A	843	834	0.18
33	A	832	823	3.85
34	A	694	686	0.85
35	A	637	630	2.05
36	A	517	511	0.80
37	A	454	449	0.11
38	A	405	400	0.69
39	A	276	273	1.03
40	A	257	254	0.20
41	A	231	229	0.13
42	A	98	97	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-2.238	0.126	0.206
H2	-2.163	0.003	1.297
H3	-2.825	1.034	-0.006
H4	-2.797	-0.732	-0.192
S5	0.115	-1.275	-0.070
C6	1.648	-0.362	0.286
H7	2.488	-0.846	-0.228
H8	1.841	-0.390	1.369
C9	-0.869	0.232	-0.397
H10	-0.950	0.341	-1.493
C11	1.401	1.049	-0.188
H12	1.536	1.102	-1.281
H13	2.110	1.756	0.269
C14	-0.033	1.358	0.155
H15	-0.369	2.330	-0.243
H16	-0.160	1.385	1.252

	C1	H2	H3	H4	S5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
C1		1.1004	1.1014	1.0988	2.7530	3.9176	4.8453	4.2735	1.4999	2.1429	3.7751	4.1722	4.6442	2.5266	2.9243	2.6455
H2	1.1004		1.7887	1.7773	2.9484	3.9600	4.9687	4.0248	2.1445	3.0609	4.0006	4.6409	4.7322	2.7712	3.3174	2.4342
H3	1.1014	1.7887		1.7762	3.7390	4.6947	5.6406	5.0689	2.1493	2.4910	4.2296	4.5435	4.9950	2.8150	2.7868	2.9680
H4	1.0988	1.7773	1.7762		2.9648	4.4857	5.2867	4.9058	2.1652	2.5010	4.5602	4.8294	5.5211	3.4827	3.9081	3.6772
S5	2.7530	2.9484	3.7390	2.9648		1.8192	2.4170	2.4150	1.8302	2.4022	2.6590	3.0229	3.6448	2.6474	3.6413	2.9833
C6	3.9176	3.9600	4.6947	4.4857	1.8192		1.0979	1.1001	2.6754	3.2258	1.5094	2.1479	2.1685	2.4092	3.4048	2.6935
H7	4.8453	4.9687	5.6406	5.2867	2.4170	1.0979		1.7824	3.5309	3.8509	2.1858	2.4111	2.6767	3.3715	4.2721	3.7664
H8	4.2735	4.0248	5.0689	4.9058	2.4150	1.1001	1.7824		3.2948	4.0635	2.1655	3.0564	2.4268	2.8364	3.8574	2.6778
C9	1.4999	2.1445	2.1493	2.1652	1.8302	2.6754	3.5309	3.2948		1.1033	2.4218	2.7058	3.4122	1.5075	2.1617	2.1340
H10	2.1429	3.0609	2.4910	2.5010	2.4022	3.2258	3.8509	4.0635	1.1033		2.7801	2.6081	3.8038	2.1425	2.4197	3.0412
C11	3.7751	4.0006	4.2296	4.5602	2.6590	1.5094	2.1858	2.1655	2.4218	2.7801		1.1025	1.1007	1.5066	2.1849	2.1503
H12	4.1722	4.6409	4.5435	4.8294	3.0229	2.1479	2.4111	3.0564	2.7058	2.6081	1.1025		1.7775	2.1422	2.4922	3.0615
H13	4.6442	4.7322	4.9950	5.5211	3.6448	2.1685	2.6767	2.4268	3.4122	3.8038	1.1007	1.7775		2.1828	2.5952	2.5016
C14	2.5266	2.7712	2.8150	3.4827	2.6474	2.4092	3.3715	2.8364	1.5075	2.1425	1.5066	2.1422	2.1828		1.1018	1.1050
H15	2.9243	3.3174	2.7868	3.9081	3.6413	3.4048	4.2721	3.8574	2.1617	2.4197	2.1849	2.4922	2.5952	1.1018		1.7808
H16	2.6455	2.4342	2.9680	3.6772	2.9833	2.6935	3.7664	2.6778	2.1340	3.0412	2.1503	3.0615	2.5016	1.1050	1.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	S5	111.136	C1	C9	H10	109.871
C1	C9	C14	114.304	H2	C1	H3	108.653
H2	C1	H4	107.830	H2	C1	C9	110.168
H3	C1	H4	107.657	H3	C1	C9	110.491
H4	C1	C9	111.929	S5	C6	H7	109.401
S5	C6	H8	109.143	S5	C6	C11	105.664
S5	C9	H10	107.338	S5	C9	C14	104.554
C6	S5	C9	94.295	C6	C11	H12	109.659
C6	C11	H13	111.399	C6	C11	C14	106.032
H7	C6	H8	108.369	H7	C6	C11	112.983
H8	C6	C11	111.202	C9	C14	C11	106.929
C9	C14	H15	110.927	C9	C14	H16	108.557
H10	C9	C14	109.312	C11	C14	H15	112.869
C11	C14	H16	109.893	H12	C11	H13	107.569
H12	C11	C14	109.402	H13	C11	C14	112.760
H15	C14	H16	107.604

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

using model chemistry: LSDA/cc-pVTZ

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	-0.340
2	H	0.116
3	H	0.114
4	H	0.128
5	S	-0.077
6	C	-0.230
7	H	0.129
8	H	0.132
9	C	-0.137
10	H	0.140
11	C	-0.241
12	H	0.120
13	H	0.122
14	C	-0.206
15	H	0.120
16	H	0.110

	x	y	z	Total
	0.375	1.963	-0.013	1.998
CHELPG
AIM
ESP

	x	y	z
x	13.339	-0.106	0.212
y	-0.106	11.971	-0.049
z	0.212	-0.049	9.514

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVTZ

States and conformations

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