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	hartrees
Energy at 0K	-591.248993
Energy at 298.15K
HF Energy	-590.407197
Nuclear repulsion energy	270.117272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3123	0.73
2	A'	3282	3111	0.61
3	A'	3245	3076	3.57
4	A'	3176	3010	14.81
5	A'	3081	2920	31.24
6	A'	1582	1500	1.83
7	A'	1522	1443	9.43
8	A'	1445	1370	5.62
9	A'	1438	1363	3.02
10	A'	1428	1353	1.88
11	A'	1275	1208	5.15
12	A'	1203	1140	2.64
13	A'	1116	1058	4.94
14	A'	1023	969	6.90
15	A'	958	908	3.57
16	A'	892	846	16.24
17	A'	859	814	6.89
18	A'	672	637	0.23
19	A'	548	520	0.27
20	A'	319	303	0.75
21	A"	3158	2993	14.35
22	A"	1486	1408	7.11
23	A"	1050	995	0.01
24	A"	736	698	2.94
25	A"	660	626	94.50
26	A"	563	534	4.16
27	A"	414	393	1.98
28	A"	193	183	3.28
29	A"	82	78	0.21
30	A"	243i	231i	0.71

Atom	x (Å)	y (Å)	z (Å)
H1	-2.210	0.804	0.000
C2	-1.253	0.298	0.000
C3	0.000	0.985	0.000
C4	1.050	0.106	0.000
H5	-1.894	-1.809	0.000
C6	-1.116	-1.062	0.000
S7	0.543	-1.548	0.000
H8	1.172	2.782	0.000
H9	-0.351	2.911	0.882
H10	-0.351	2.911	-0.882
C11	0.125	2.479	0.000
H12	2.104	0.341	0.000

	H1	C2	C3	C4	H5	C6	S7	H8	H9	H10	C11	H12
H1		1.0823	2.2173	3.3340	2.6323	2.1635	3.6213	3.9181	2.9450	2.9450	2.8740	4.3388
C2	1.0823		1.4294	2.3115	2.2022	1.3669	2.5759	3.4721	2.9020	2.9020	2.5809	3.3578
C3	2.2173	1.4294		1.3693	3.3757	2.3315	2.5908	2.1456	2.1473	2.1473	1.4999	2.2005
C4	3.3340	2.3115	1.3693		3.5126	2.4610	1.7303	2.6785	3.2570	3.2570	2.5473	1.0798
H5	2.6323	2.2022	3.3757	3.5126		1.0789	2.4515	5.5211	5.0438	5.0438	4.7405	4.5398
C6	2.1635	1.3669	2.3315	2.4610	1.0789		1.7287	4.4736	4.1412	4.1412	3.7529	3.5123
S7	3.6213	2.5759	2.5908	1.7303	2.4515	1.7287		4.3756	4.6327	4.6327	4.0495	2.4506
H8	3.9181	3.4721	2.1456	2.6785	5.5211	4.4736	4.3756		1.7649	1.7649	1.0899	2.6128
H9	2.9450	2.9020	2.1473	3.2570	5.0438	4.1412	4.6327	1.7649		1.7642	1.0913	3.6620
H10	2.9450	2.9020	2.1473	3.2570	5.0438	4.1412	4.6327	1.7649	1.7642		1.0913	3.6620
C11	2.8740	2.5809	1.4999	2.5473	4.7405	3.7529	4.0495	1.0899	1.0913	1.0913		2.9137
H12	4.3388	3.3578	2.2005	1.0798	4.5398	3.5123	2.4506	2.6128	3.6620	3.6620	2.9137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C3	123.366	H1	C2	C6	123.678
C2	C3	C4	111.343	C2	C3	C11	123.526
C2	C6	H5	128.032	C2	C6	S7	112.108
C3	C2	C6	112.956	C3	C4	S7	112.885
C3	C4	H12	127.523	C3	C11	H8	110.896
C3	C11	H9	110.946	C3	C11	H10	110.946
C4	C3	C11	125.131	C4	S7	C6	90.708
H5	C6	S7	119.860	S7	C4	H12	119.592
H8	C11	H9	108.029	H8	C11	H10	108.029
H9	C11	H10	107.866

All results from a given calculation for C₅H₆S (Thiophene, 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 C5H6S (Thiophene, 3-methyl-)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for C₅H₆S (Thiophene, 3-methyl-)