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	hartrees
Energy at 0K	-589.602391
Energy at 298.15K	-589.614162
HF Energy	-589.602391
Nuclear repulsion energy	308.794109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3103	3047	4.79
2	A	3077	3022	12.06
3	A	3060	3004	13.72
4	A	3055	3000	13.40
5	A	3044	2989	8.15
6	A	3030	2975	11.10
7	A	3020	2965	2.85
8	A	2995	2941	12.32
9	A	2980	2926	21.22
10	A	2978	2924	3.49
11	A	1496	1469	15.23
12	A	1482	1455	12.04
13	A	1477	1451	2.76
14	A	1467	1441	17.49
15	A	1462	1435	7.68
16	A	1397	1372	20.93
17	A	1347	1322	3.19
18	A	1338	1314	0.98
19	A	1305	1281	6.35
20	A	1271	1248	13.67
21	A	1260	1237	5.98
22	A	1219	1197	5.19
23	A	1179	1158	13.52
24	A	1144	1123	0.08
25	A	1101	1081	0.97
26	A	1075	1055	1.48
27	A	1048	1029	5.04
28	A	1020	1002	5.55
29	A	966	949	6.66
30	A	954	937	5.72
31	A	908	892	1.71
32	A	860	844	0.11
33	A	841	825	7.04
34	A	654	643	2.81
35	A	610	599	3.88
36	A	525	516	1.35
37	A	454	446	0.13
38	A	409	401	1.11
39	A	287	282	1.93
40	A	272	267	0.29
41	A	245	240	0.31
42	A	99	97	1.66

Atom	x (Å)	y (Å)	z (Å)
C1	2.299	0.142	-0.022
H2	2.380	0.017	-1.113
H3	2.803	1.073	0.275
H4	2.797	-0.705	0.473
S5	-0.105	-1.299	-0.083
C6	-1.722	-0.373	0.004
H7	-2.305	-0.707	0.874
H8	-2.295	-0.584	-0.909
C9	0.834	0.220	0.377
H10	0.748	0.363	1.467
C11	-1.389	1.132	0.132
H12	-1.428	1.406	1.199
H13	-2.112	1.752	-0.418
C14	0.061	1.326	-0.330
H15	0.453	2.323	-0.072
H16	0.144	1.156	-1.415

	C1	H2	H3	H4	S5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
C1		1.1005	1.1000	1.1005	2.8037	4.0539	4.7664	4.7347	1.5198	2.1615	3.8213	4.1204	4.7117	2.5500	2.8576	2.7590
H2	1.1005		1.7945	1.7917	2.9952	4.2695	5.1403	4.7183	2.1562	3.0721	4.1229	4.6663	4.8650	2.7753	3.1801	2.5277
H3	1.1000	1.7945		1.7890	3.7705	4.7589	5.4427	5.4903	2.1483	2.4801	4.1950	4.3439	5.0099	2.8194	2.6848	3.1523
H4	1.1005	1.7917	1.7890		3.0144	4.5555	5.1175	5.2777	2.1718	2.5154	4.5838	4.7783	5.5611	3.5004	3.8677	3.7508
S5	2.8037	2.9952	3.7705	3.0144		1.8649	2.4705	2.4469	1.8445	2.4269	2.7574	3.2724	3.6669	2.6417	3.6644	2.8045
C6	4.0539	4.2695	4.7589	4.5555	1.8649		1.0994	1.0981	2.6509	2.9632	1.5473	2.1635	2.2018	2.4860	3.4648	2.7994
H7	4.7664	5.1403	5.4427	5.1175	2.4705	1.0994		1.7874	3.3110	3.2882	2.1848	2.3109	2.7853	3.3442	4.2049	3.8357
H8	4.7347	4.7183	5.4903	5.2777	2.4469	1.0981	1.7874		3.4775	3.9745	2.2025	3.0258	2.3943	3.0881	4.0866	3.0389
C9	1.5198	2.1562	2.1483	2.1718	1.8445	2.6509	3.3110	3.4775		1.1026	2.4153	2.6834	3.4144	1.5231	2.1836	2.1364
H10	2.1615	3.0721	2.4801	2.5154	2.4269	2.9632	3.2882	3.9745	1.1026		2.6335	2.4274	3.6956	2.1509	2.5092	3.0494
C11	3.8213	4.1229	4.1950	4.5838	2.7574	1.5473	2.1848	2.2025	2.4153	2.6335		1.1019	1.1001	1.5344	2.2024	2.1784
H12	4.1204	4.6663	4.3439	4.7783	3.2724	2.1635	2.3109	3.0258	2.6834	2.4274	1.1019		1.7897	2.1360	2.4482	3.0608
H13	4.7117	4.8650	5.0099	5.5611	3.6669	2.2018	2.7853	2.3943	3.4144	3.6956	1.1001	1.7897		2.2161	2.6497	2.5371
C14	2.5500	2.7753	2.8194	3.5004	2.6417	2.4860	3.3442	3.0881	1.5231	2.1509	1.5344	2.1360	2.2161		1.1014	1.1016
H15	2.8576	3.1801	2.6848	3.8677	3.6644	3.4648	4.2049	4.0866	2.1836	2.5092	2.2024	2.4482	2.6497	1.1014		1.8055
H16	2.7590	2.5277	3.1523	3.7508	2.8045	2.7994	3.8357	3.0389	2.1364	3.0494	2.1784	3.0608	2.5371	1.1016	1.8055

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C9	S5	112.534	C1	C9	H10	110.005
C1	C9	C14	113.859	H2	C1	H3	109.268
H2	C1	H4	108.985	H2	C1	C9	109.709
H3	C1	H4	108.782	H3	C1	C9	109.121
H4	C1	C9	110.949	S5	C6	H7	110.214
S5	C6	H8	108.568	S5	C6	C11	107.456
S5	C9	H10	108.224	S5	C9	C14	102.923
C6	S5	C9	91.226	C6	C11	H12	108.330
C6	C11	H13	111.425	C6	C11	C14	107.548
H7	C6	H8	108.859	H7	C6	C11	110.122
H8	C6	C11	111.603	C9	C14	C11	104.366
C9	C14	H15	111.598	C9	C14	H16	107.892
H10	C9	C14	108.951	C11	C14	H15	112.307
C11	C14	H16	110.390	H12	C11	H13	108.732
H12	C11	C14	107.097	H13	C11	C14	113.509
H15	C14	H16	110.079

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

using model chemistry: SVWN/3-21G

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-2-methyl-)

using model chemistry: SVWN/3-21G

States and conformations

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