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	hartrees
Energy at 0K	-43.082776
Energy at 298.15K	-43.094973
Nuclear repulsion energy	135.916676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3350	3020	52.26
2	A	3343	3013	30.28
3	A	3293	2969	104.24
4	A	3285	2961	114.88
5	A	3280	2956	32.84
6	A	3272	2949	31.10
7	A	3270	2948	71.92
8	A	3233	2914	71.75
9	A	3215	2898	24.92
10	A	3203	2887	50.93
11	A	1647	1485	0.86
12	A	1646	1483	6.29
13	A	1633	1472	8.01
14	A	1627	1467	8.18
15	A	1626	1466	1.61
16	A	1564	1410	7.65
17	A	1506	1358	3.51
18	A	1489	1342	5.94
19	A	1458	1314	8.13
20	A	1426	1285	13.36
21	A	1397	1259	25.39
22	A	1350	1217	2.02
23	A	1301	1172	3.46
24	A	1252	1128	0.04
25	A	1182	1066	2.16
26	A	1164	1049	0.46
27	A	1140	1028	1.33
28	A	1084	977	2.17
29	A	1052	948	0.45
30	A	1012	912	2.29
31	A	987	890	4.70
32	A	930	838	1.78
33	A	847	764	3.40
34	A	762	687	9.11
35	A	711	641	8.71
36	A	641	577	1.50
37	A	524	472	0.20
38	A	400	360	0.14
39	A	378	341	0.37
40	A	236	213	0.11
41	A	200	180	0.37
42	A	123	111	3.39

Atom	x (Å)	y (Å)	z (Å)
S1	1.524	0.965	-0.514
C2	-1.767	-0.164	-0.709
H3	-1.191	-0.142	-1.633
H4	-2.296	-1.117	-0.659
H5	-2.514	0.629	-0.767
C6	-0.052	1.345	0.463
H7	-0.587	2.139	-0.046
H8	0.240	1.686	1.451
C9	-0.865	0.027	0.533
H10	-1.501	0.057	1.418
C11	1.292	-0.905	-0.362
H12	2.234	-1.344	-0.054
H13	1.018	-1.297	-1.335
C14	0.175	-1.112	0.689
H15	0.609	-1.072	1.687
H16	-0.289	-2.091	0.569

	S1	C2	H3	H4	H5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
S1		3.4853	3.1390	4.3530	4.0602	1.8934	2.4606	2.4552	2.7720	3.7025	1.8912	2.4592	2.4597	2.7539	3.1364	3.7152
C2	3.4853		1.0894	1.0909	1.0906	2.5671	2.6708	3.4804	1.5468	2.1549	3.1666	4.2224	3.0711	2.5740	3.4948	2.7443
H3	3.1390	1.0894		1.7659	1.7595	2.8112	2.8438	3.8600	2.1970	3.0734	2.8920	3.9582	2.5103	2.8634	3.8900	3.0760
H4	4.3530	1.0909	1.7659		1.7628	3.5146	3.7274	4.3285	2.1856	2.5150	3.6058	4.5751	3.3860	2.8144	3.7343	2.5461
H5	4.0602	1.0906	1.7595	1.7628		2.8433	2.5517	3.6903	2.1843	2.4752	4.1233	5.1905	4.0627	3.5187	4.3208	3.7590
C6	1.8934	2.5671	2.8112	3.5146	2.8433		1.0840	1.0849	1.5497	2.1606	2.7477	3.5671	3.3702	2.4782	2.7892	3.4453
H7	2.4606	2.6708	2.8438	3.7274	2.5517	1.0840		1.7689	2.2070	2.7038	3.5911	4.4818	4.0053	3.4191	3.8400	4.2841
H8	2.4552	3.4804	3.8600	4.3285	3.6903	1.0849	1.7689		2.1942	2.3842	3.3321	3.9265	4.1546	2.9007	2.7926	3.9137
C9	2.7720	1.5468	2.1970	2.1856	2.1843	1.5497	2.2070	2.1942		1.0904	2.5138	3.4386	2.9638	1.5504	2.1710	2.1946
H10	3.7025	2.1549	3.0734	2.5150	2.4752	2.1606	2.7038	2.3842	1.0904		3.4482	4.2514	3.9689	2.1696	2.4078	2.6074
C11	1.8912	3.1666	2.8920	3.6058	4.1233	2.7477	3.5911	3.3321	2.5138	3.4482		1.0837	1.0843	1.5469	2.1664	2.1845
H12	2.4592	4.2224	3.9582	4.5751	5.1905	3.5671	4.4818	3.9265	3.4386	4.2514	1.0837		1.7667	2.2008	2.3974	2.7042
H13	2.4597	3.0711	2.5103	3.3860	4.0627	3.3702	4.0053	4.1546	2.9638	3.9689	1.0843	1.7667		2.1995	3.0580	2.4421
C14	2.7539	2.5740	2.8634	2.8144	3.5187	2.4782	3.4191	2.9007	1.5504	2.1696	1.5469	2.2008	2.1995		1.0897	1.0894
H15	3.1364	3.4948	3.8900	3.7343	4.3208	2.7892	3.8400	2.7926	2.1710	2.4078	2.1664	2.3974	3.0580	1.0897		1.7588
H16	3.7152	2.7443	3.0760	2.5461	3.7590	3.4453	4.2841	3.9137	2.1946	2.6074	2.1845	2.7042	2.4421	1.0894	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C6	H7	108.390	S1	C6	H8	107.949
S1	C6	C9	106.812	S1	C11	H12	108.445
S1	C11	H13	108.445	S1	C11	C14	106.019
C2	C9	C6	111.998	C2	C9	H10	108.349
C2	C9	C14	112.418	H3	C2	H4	108.176
H3	C2	H5	107.629	H3	C2	C9	111.724
H4	C2	H5	107.810	H4	C2	C9	110.724
H5	C2	C9	110.629	C6	S1	C11	93.112
C6	C9	H10	108.598	C6	C9	C14	106.141
H7	C6	H8	109.291	H7	C6	C9	112.656
H8	C6	C9	111.561	C9	C14	C11	108.508
C9	C14	H15	109.394	C9	C14	H16	111.282
H10	C9	C14	109.247	C11	C14	H15	109.275
C11	C14	H16	110.720	H12	C11	H13	109.151
H12	C11	C14	112.370	H13	C11	C14	112.235
H15	C14	H16	107.636

All results from a given calculation for C₅H₁₀S (Thiophene, tetrahydro-3-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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Number	Element	Mulliken
1	S	0.097
2	C	-0.370
3	H	0.124
4	H	0.111
5	H	0.117
6	C	-0.517
7	H	0.170
8	H	0.158
9	C	0.052
10	H	0.127
11	C	-0.469
12	H	0.168
13	H	0.145
14	C	-0.153
15	H	0.114
16	H	0.128

	x	y	z	Total
	-2.032	-1.603	1.216	2.860
CHELPG
AIM
ESP

	x	y	z
x	9.992	-0.020	-1.124
y	-0.020	10.283	-0.005
z	-1.124	-0.005	7.969

<r²>	147.668
(<r²>)^1/2	12.152

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

using model chemistry: HF/CEP-31G

States and conformations

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