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	hartrees
Energy at 0K	-593.646827
Energy at 298.15K	-593.658845
HF Energy	-592.760101
Nuclear repulsion energy	314.425433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3182	3016	13.32
2	A	3172	3006	14.37
3	A	3170	3005	25.24
4	A	3164	2999	22.61
5	A	3145	2982	19.90
6	A	3117	2954	16.61
7	A	3110	2948	48.78
8	A	3096	2935	23.43
9	A	3084	2924	13.12
10	A	3077	2917	22.09
11	A	1529	1449	4.69
12	A	1526	1447	1.62
13	A	1514	1435	5.55
14	A	1505	1427	3.67
15	A	1495	1417	3.71
16	A	1437	1362	9.33
17	A	1392	1319	3.61
18	A	1367	1296	2.00
19	A	1345	1275	3.16
20	A	1325	1256	7.88
21	A	1290	1223	14.48
22	A	1255	1190	3.61
23	A	1198	1136	1.50
24	A	1149	1089	0.42
25	A	1101	1044	0.99
26	A	1090	1033	0.53
27	A	1062	1007	0.27
28	A	1020	966	1.24
29	A	986	935	0.12
30	A	954	905	0.50
31	A	926	877	1.92
32	A	880	834	0.59
33	A	826	783	1.02
34	A	739	700	3.44
35	A	709	672	1.57
36	A	620	588	0.69
37	A	497	472	0.03
38	A	388	368	0.08
39	A	356	338	0.11
40	A	254	241	0.12
41	A	192	182	0.13
42	A	124	118	1.97

Atom	x (Å)	y (Å)	z (Å)
S1	1.629	-0.387	-0.010
C2	-2.259	-0.217	0.420
H3	-1.939	0.008	1.437
H4	-3.014	0.511	0.121
H5	-2.703	-1.212	0.402
C6	-0.004	-1.186	-0.051
H7	-0.223	-1.418	0.991
H8	-0.024	-2.114	-0.619
C9	-1.057	-0.160	-0.527
H10	-1.395	-0.356	-1.545
C11	0.745	1.105	0.530
H12	1.398	1.978	0.529
H13	0.331	0.949	1.528
C14	-0.357	1.205	-0.513
H15	0.159	1.324	-1.466
H16	-1.054	2.034	-0.383

	S1	C2	H3	H4	H5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
S1		3.9145	3.8698	4.7307	4.4290	1.8187	2.3434	2.4665	2.7448	3.3911	1.8162	2.4361	2.4146	2.5941	2.6848	3.6324
C2	3.9145		1.0898	1.0915	1.0894	2.4983	2.4318	3.1094	1.5310	2.1516	3.2838	4.2661	3.0488	2.5517	3.4319	2.6765
H3	3.8698	1.0898		1.7725	1.7731	2.7171	2.2760	3.5207	2.1599	3.0538	3.0379	3.9794	2.4590	2.7818	3.8159	2.8635
H4	4.7307	1.0915	1.7725		1.7732	3.4598	3.5034	4.0472	2.1680	2.4807	3.8279	4.6673	3.6556	2.8188	3.6400	2.5328
H5	4.4290	1.0894	1.7731	1.7732		2.7368	2.5581	3.0059	2.1635	2.4979	4.1565	5.1969	3.8916	3.4908	4.2560	3.7243
C6	1.8187	2.4983	2.7171	3.4598	2.7368		1.0892	1.0876	1.5459	2.2037	2.4801	3.5091	2.6765	2.4611	2.8864	3.4030
H7	2.3434	2.4318	2.2760	3.5034	2.5581	1.0892		1.7644	2.1416	2.9893	2.7418	3.7910	2.4898	3.0270	3.7018	3.8074
H8	2.4665	3.1094	3.5207	4.0472	3.0059	1.0876	1.7644		2.2123	2.4140	3.5033	4.4809	3.7566	3.3372	3.5452	4.2798
C9	2.7448	1.5310	2.1599	2.1680	2.1635	1.5459	2.1416	2.2123		1.0903	2.4429	3.4225	2.7170	1.5343	2.1358	2.1981
H10	3.3911	2.1516	3.0538	2.4807	2.4979	2.2037	2.9893	2.4140	1.0903		3.3201	4.1892	3.7587	2.1403	2.2895	2.6790
C11	1.8162	3.2838	3.0379	3.8279	4.1565	2.4801	2.7418	3.5033	2.4429	3.3201		1.0896	1.0911	1.5206	2.0923	2.2211
H12	2.4361	4.2661	3.9794	4.6673	5.1969	3.5091	3.7910	4.4809	3.4225	4.1892	1.0896		1.7868	2.1822	2.4383	2.6168
H13	2.4146	3.0488	2.4590	3.6556	3.8916	2.6765	2.4898	3.7566	2.7170	3.7587	1.0911	1.7868		2.1689	3.0224	2.5979
C14	2.5941	2.5517	2.7818	2.8188	3.4908	2.4611	3.0270	3.3372	1.5343	2.1403	1.5206	2.1822	2.1689		1.0904	1.0905
H15	2.6848	3.4319	3.8159	3.6400	4.2560	2.8864	3.7018	3.5452	2.1358	2.2895	2.0923	2.4383	3.0224	1.0904		1.7741
H16	3.6324	2.6765	2.8635	2.5328	3.7243	3.4030	3.8074	4.2798	2.1981	2.6790	2.2211	2.6168	2.5979	1.0905	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C6	H7	104.587	S1	C6	H8	113.745
S1	C6	C9	109.062	S1	C11	H12	111.477
S1	C11	H13	109.777	S1	C11	C14	101.682
C2	C9	C6	108.571	C2	C9	H10	109.177
C2	C9	C14	112.698	H3	C2	H4	108.695
H3	C2	H5	108.905	H3	C2	C9	109.853
H4	C2	H5	108.792	H4	C2	C9	110.399
H5	C2	C9	110.159	C6	S1	C11	86.049
C6	C9	H10	112.275	C6	C9	C14	106.072
H7	C6	H8	108.304	H7	C6	C9	107.462
H8	C6	C9	113.143	C9	C14	C11	106.195
C9	C14	H15	107.725	C9	C14	H16	112.644
H10	C9	C14	108.075	C11	C14	H15	105.326
C11	C14	H16	115.573	H12	C11	H13	110.040
H12	C11	C14	112.392	H13	C11	C14	111.219
H15	C14	H16	108.882

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

using model chemistry: MP2/TZVP

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

using model chemistry: MP2/TZVP

States and conformations

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