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	hartrees
Energy at 0K	-43.097486
Energy at 298.15K	-43.109618
Nuclear repulsion energy	133.989179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	3008	32.54
2	A	3254	2970	83.14
3	A	3232	2950	80.64
4	A	3228	2945	64.81
5	A	3222	2940	12.55
6	A	3214	2933	16.38
7	A	3204	2924	19.75
8	A	3168	2890	41.36
9	A	3155	2879	57.56
10	A	3140	2866	41.54
11	A	1638	1495	1.93
12	A	1636	1493	6.13
13	A	1629	1486	8.84
14	A	1625	1483	4.09
15	A	1621	1479	3.56
16	A	1557	1420	5.00
17	A	1507	1375	1.76
18	A	1487	1357	2.11
19	A	1452	1325	0.76
20	A	1427	1302	9.58
21	A	1405	1282	40.10
22	A	1349	1231	5.66
23	A	1314	1199	6.85
24	A	1266	1156	0.76
25	A	1208	1102	0.33
26	A	1174	1071	3.03
27	A	1134	1035	7.77
28	A	1116	1018	0.58
29	A	1066	973	2.44
30	A	1037	946	5.78
31	A	955	872	1.55
32	A	936	854	1.26
33	A	906	827	3.49
34	A	711	649	6.44
35	A	646	590	8.96
36	A	562	513	0.77
37	A	485	442	0.05
38	A	433	395	0.95
39	A	302	275	1.48
40	A	254	232	0.21
41	A	242	221	0.20
42	A	89	82	2.28

Atom	x (Å)	y (Å)	z (Å)
C1	2.273	0.049	0.201
H2	2.209	0.200	1.274
H3	2.824	-0.870	0.013
H4	2.841	0.872	-0.222
S5	-0.119	1.560	-0.127
C6	-1.723	0.633	0.256
H7	-2.528	1.097	-0.296
H8	-1.917	0.721	1.316
C9	0.875	-0.041	-0.423
H10	0.956	-0.149	-1.497
C11	-1.481	-0.831	-0.162
H12	-1.664	-0.944	-1.227
H13	-2.161	-1.498	0.361
C14	-0.009	-1.168	0.150
H15	0.279	-2.126	-0.275
H16	0.136	-1.229	1.227

	C1	H2	H3	H4	S5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
C1		1.0853	1.0888	1.0855	2.8480	4.0389	4.9389	4.3879	1.5338	2.1582	3.8726	4.3045	4.6992	2.5868	2.9897	2.6933
H2	1.0853		1.7647	1.7575	3.0388	4.0850	5.0704	4.1596	2.1721	3.0614	4.0914	4.7506	4.7767	2.8378	3.3967	2.5184
H3	1.0888	1.7647		1.7585	3.8197	4.7958	5.7108	5.1688	2.1630	2.5083	4.3088	4.6573	5.0371	2.8521	2.8534	2.9717
H4	1.0855	1.7575	1.7585		3.0402	4.5950	5.3737	5.0027	2.1771	2.4943	4.6455	4.9604	5.5657	3.5244	3.9446	3.7189
S5	2.8480	3.0388	3.8197	3.0402		1.8913	2.4584	2.4533	1.9074	2.4400	2.7517	3.1413	3.7088	2.7439	3.7104	3.1103
C6	4.0389	4.0850	4.7958	4.5950	1.8913		1.0804	1.0814	2.7685	3.2962	1.5423	2.1662	2.1781	2.4889	3.4503	2.8046
H7	4.9389	5.0704	5.7108	5.3737	2.4584	1.0804		1.7643	3.5902	3.8903	2.1986	2.4044	2.7016	3.4169	4.2740	3.8501
H8	4.3879	4.1596	5.1688	5.0027	2.4533	1.0814	1.7643		3.3766	4.1147	2.1878	3.0508	2.4283	2.9278	3.9325	2.8332
C9	1.5338	2.1721	2.1630	2.1771	1.9074	2.7685	3.5902	3.3766		1.0830	2.4981	2.8123	3.4574	1.5424	2.1738	2.1628
H10	2.1582	3.0614	2.5083	2.4943	2.4400	3.2962	3.8903	4.1147	1.0830		2.8614	2.7518	3.8719	2.1644	2.4214	3.0430
C11	3.8726	4.0914	4.3088	4.6455	2.7517	1.5423	2.1986	2.1878	2.4981	2.8614		1.0870	1.0865	1.5417	2.1874	2.1676
H12	4.3045	4.7506	4.6573	4.9604	3.1413	2.1662	2.4044	3.0508	2.8123	2.7518	1.0870		1.7535	2.1651	2.4653	3.0565
H13	4.6992	4.7767	5.0371	5.5657	3.7088	2.1781	2.7016	2.4283	3.4574	3.8719	1.0865	1.7535		2.1878	2.5987	2.4696
C14	2.5868	2.8378	2.8521	3.5244	2.7439	2.4889	3.4169	2.9278	1.5424	2.1644	1.5417	2.1651	2.1878		1.0872	1.0877
H15	2.9897	3.3967	2.8534	3.9446	3.7104	3.4503	4.2740	3.9325	2.1738	2.4214	2.1874	2.4653	2.5987	1.0872		1.7554
H16	2.6933	2.5184	2.9717	3.7189	3.1103	2.8046	3.8501	2.8332	2.1628	3.0430	2.1676	3.0565	2.4696	1.0877	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	S5	111.252	C1	C9	H10	109.929
C1	C9	C14	114.471	H2	C1	H3	108.521
H2	C1	H4	108.110	H2	C1	C9	110.896
H3	C1	H4	107.953	H3	C1	C9	109.970
H4	C1	C9	111.292	S5	C6	H7	108.536
S5	C6	H8	108.115	S5	C6	C11	106.081
S5	C9	H10	106.055	S5	C9	C14	104.893
C6	S5	C9	93.570	C6	C11	H12	109.735
C6	C11	H13	110.707	C6	C11	C14	107.613
H7	C6	H8	109.389	H7	C6	C11	112.734
H8	C6	C11	111.788	C9	C14	C11	108.189
C9	C14	H15	110.314	C9	C14	H16	109.418
H10	C9	C14	109.819	C11	C14	H15	111.443
C11	C14	H16	109.842	H12	C11	H13	107.572
H12	C11	C14	109.689	H13	C11	C14	111.525
H15	C14	H16	107.623

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

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	C	-0.437
2	H	0.156
3	H	0.140
4	H	0.162
5	S	0.201
6	C	-0.541
7	H	0.183
8	H	0.175
9	C	-0.333
10	H	0.171
11	C	-0.217
12	H	0.142
13	H	0.153
14	C	-0.246
15	H	0.150
16	H	0.142

	x	y	z	Total
	-0.494	-2.652	0.074	2.699
CHELPG
AIM
ESP

	x	y	z
x	11.866	-0.244	-0.399
y	-0.244	10.777	-0.005
z	-0.399	-0.005	8.381

<r²>	160.028
(<r²>)^1/2	12.650

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

using model chemistry: HF/CEP-121G

States and conformations

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