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	hartrees
Energy at 0K	-592.748216
Energy at 298.15K	-592.760485
Nuclear repulsion energy	313.412611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3265	2966	30.14
2	A	3259	2961	20.16
3	A	3234	2938	62.17
4	A	3222	2927	102.77
5	A	3219	2925	4.77
6	A	3212	2918	43.80
7	A	3206	2913	11.24
8	A	3180	2889	47.22
9	A	3165	2875	20.29
10	A	3162	2872	23.57
11	A	1635	1485	2.07
12	A	1630	1481	3.52
13	A	1614	1466	3.81
14	A	1612	1464	6.95
15	A	1605	1458	2.00
16	A	1543	1402	6.50
17	A	1491	1355	4.45
18	A	1472	1337	0.94
19	A	1447	1315	6.12
20	A	1418	1288	7.81
21	A	1386	1259	21.69
22	A	1341	1218	2.21
23	A	1294	1176	2.57
24	A	1243	1130	0.31
25	A	1171	1064	2.50
26	A	1160	1054	0.35
27	A	1118	1016	0.42
28	A	1063	966	1.40
29	A	1036	941	0.21
30	A	997	905	0.94
31	A	975	886	3.53
32	A	920	836	1.04
33	A	848	771	1.96
34	A	778	707	5.79
35	A	746	678	4.90
36	A	657	597	0.68
37	A	534	485	0.09
38	A	402	365	0.08
39	A	378	343	0.22
40	A	245	223	0.04
41	A	206	187	0.27
42	A	120	109	2.47

Atom	x (Å)	y (Å)	z (Å)
S1	-1.466	-0.453	-0.258
C2	1.915	-0.296	-0.799
H3	1.277	-0.226	-1.674
H4	2.679	0.472	-0.875
H5	2.411	-1.262	-0.831
C6	-0.018	-1.167	0.609
H7	0.235	-2.115	0.153
H8	-0.283	-1.343	1.644
C9	1.119	-0.142	0.499
H10	1.800	-0.283	1.335
C11	-0.769	1.238	-0.316
H12	-1.523	1.946	0.001
H13	-0.486	1.473	-1.334
C14	0.441	1.229	0.620
H15	0.101	1.371	1.642
H16	1.124	2.041	0.386

	S1	C2	H3	H4	H5	C6	H7	H8	C9	H10	C11	H12	H13	C14	H15	H16
S1		3.4279	3.0961	4.2921	4.0025	1.8331	2.4138	2.4103	2.7120	3.6382	1.8305	2.4133	2.4142	2.6905	3.0649	3.6529
C2	3.4279		1.0853	1.0864	1.0861	2.5454	2.6527	3.4490	1.5307	2.1370	3.1290	4.1813	3.0306	2.5518	3.4680	2.7369
H3	3.0961	1.0853		1.7582	1.7518	2.7892	2.8272	3.8333	2.1813	3.0550	2.8596	3.9198	2.4731	2.8430	3.8645	3.0675
H4	4.2921	1.0864	1.7582		1.7548	3.4883	3.7048	4.2917	2.1683	2.4958	3.5761	4.5381	3.3517	2.7961	3.7138	2.5437
H5	4.0025	1.0861	1.7518	1.7548		2.8262	2.5366	3.6598	2.1668	2.4544	4.0779	5.1436	4.0163	3.4916	4.2876	3.7475
C6	1.8331	2.5454	2.7892	3.4883	2.8262		1.0820	1.0823	1.5352	2.1482	2.6848	3.5108	3.3120	2.4399	2.7426	3.4125
H7	2.4138	2.6527	2.8272	3.7048	2.5366	1.0820		1.7570	2.1899	2.6840	3.5319	4.4276	3.9508	3.3828	3.7929	4.2562
H8	2.4103	3.4490	3.8333	4.2917	3.6598	1.0823	1.7570		2.1725	2.3581	3.2777	3.8800	4.1040	2.8616	2.7410	3.8746
C9	2.7120	1.5307	2.1813	2.1683	2.1668	1.5352	2.1899	2.1725		1.0872	2.4767	3.4037	2.9237	1.5339	2.1516	2.1853
H10	3.6382	2.1370	3.0550	2.4958	2.4544	2.1482	2.6840	2.3581	1.0872		3.4118	4.2176	3.9290	2.1547	2.3905	2.5990
C11	1.8305	3.1290	2.8596	3.5761	4.0779	2.6848	3.5319	3.2777	2.4767	3.4118		1.0813	1.0821	1.5301	2.1472	2.1726
H12	2.4133	4.1813	3.9198	4.5381	5.1436	3.5108	4.4276	3.8800	3.4037	4.2176	1.0813		1.7546	2.1805	2.3796	2.6764
H13	2.4142	3.0306	2.4731	3.3517	4.0163	3.3120	3.9508	4.1040	2.9237	3.9290	1.0821	1.7546		2.1772	3.0356	2.4241
C14	2.6905	2.5518	2.8430	2.7961	3.4916	2.4399	3.3828	2.8616	1.5339	2.1547	1.5301	2.1805	2.1772		1.0864	1.0862
H15	3.0649	3.4680	3.8645	3.7138	4.2876	2.7426	3.7929	2.7410	2.1516	2.3905	2.1472	2.3796	3.0356	1.0864		1.7528
H16	3.6529	2.7369	3.0675	2.5437	3.7475	3.4125	4.2562	3.8746	2.1853	2.5990	2.1726	2.6764	2.4241	1.0862	1.7528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C6	H7	109.061	S1	C6	H8	108.791
S1	C6	C9	106.916	S1	C11	H12	109.233
S1	C11	H13	109.260	S1	C11	C14	106.029
C2	C9	C6	112.244	C2	C9	H10	108.239
C2	C9	C14	112.749	H3	C2	H4	108.112
H3	C2	H5	107.557	H3	C2	C9	111.856
H4	C2	H5	107.757	H4	C2	C9	110.749
H5	C2	C9	110.650	C6	S1	C11	94.247
C6	C9	H10	108.805	C6	C9	C14	105.309
H7	C6	H8	108.543	H7	C6	C9	112.438
H8	C6	C9	111.013	C9	C14	C11	107.866
C9	C14	H15	109.203	C9	C14	H16	111.902
H10	C9	C14	109.404	C11	C14	H15	109.117
C11	C14	H16	111.144	H12	C11	H13	108.403
H12	C11	C14	112.086	H13	C11	C14	111.766
H15	C14	H16	107.571

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

using model chemistry: HF/6-311G**

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	0.024
2	C	-0.201
3	H	0.107
4	H	0.092
5	H	0.095
6	C	-0.269
7	H	0.131
8	H	0.137
9	C	-0.236
10	H	0.109
11	C	-0.287
12	H	0.136
13	H	0.130
14	C	-0.190
15	H	0.114
16	H	0.108

	x	y	z	Total
	2.078	0.885	0.731	2.374
CHELPG
AIM
ESP

	x	y	z
x	10.808	0.102	0.475
y	0.102	10.417	-0.261
z	0.475	-0.261	8.659

<r²>	195.303
(<r²>)^1/2	13.975

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

using model chemistry: HF/6-311G**

States and conformations

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