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	hartrees
Energy at 0K	-591.229770
Energy at 298.15K	-591.235900
HF Energy	-590.344760
Nuclear repulsion energy	272.655015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3126	1.39
2	A'	3320	3093	5.61
3	A'	3302	3076	7.56
4	A'	3223	3002	14.06
5	A'	3130	2916	30.40
6	A'	1655	1542	1.37
7	A'	1557	1451	5.17
8	A'	1549	1443	17.95
9	A'	1477	1376	0.69
10	A'	1434	1336	0.76
11	A'	1311	1221	12.46
12	A'	1226	1142	14.33
13	A'	1144	1065	2.05
14	A'	1092	1018	1.80
15	A'	1026	956	1.80
16	A'	887	826	15.40
17	A'	770	717	0.41
18	A'	690	643	3.18
19	A'	567	528	0.69
20	A'	311	290	0.71
21	A"	3202	2983	13.69
22	A"	1526	1422	8.01
23	A"	1086	1012	0.01
24	A"	873	813	0.24
25	A"	822	766	17.61
26	A"	707	659	85.16
27	A"	534	497	1.01
28	A"	454	423	5.04
29	A"	218	203	3.51
30	A"	84	79	0.28

Atom	x (Å)	y (Å)	z (Å)
H1	-2.394	-1.543	0.000
C2	-1.444	-1.033	0.000
H3	-2.138	1.081	0.000
C4	-1.303	0.397	0.000
C5	0.000	0.808	0.000
H6	-0.048	-2.727	0.000
C7	-0.237	-1.669	0.000
S8	1.087	-0.553	0.000
H9	-0.312	2.908	0.000
H10	1.132	2.413	0.881
H11	1.132	2.413	-0.881
C12	0.524	2.213	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0782	2.6365	2.2261	3.3549	2.6272	2.1597	3.6186	4.9142	5.3713	5.3713	4.7556
C2	1.0782		2.2248	1.4372	2.3392	2.1951	1.3636	2.5758	4.1005	4.3909	4.3909	3.7953
H3	2.6365	2.2248		1.0792	2.1553	4.3439	3.3425	3.6151	2.5833	3.6386	3.6386	2.8921
C4	2.2261	1.4372	1.0792		1.3658	3.3672	2.3246	2.5717	2.6994	3.2808	3.2808	2.5751
C5	3.3549	2.3392	2.1553	1.3658		3.5354	2.4878	1.7414	2.1238	2.1523	2.1523	1.4994
H6	2.6272	2.1951	4.3439	3.3672	3.5354		1.0754	2.4531	5.6420	5.3467	5.3467	4.9731
C7	2.1597	1.3636	3.3425	2.3246	2.4878	1.0754		1.7319	4.5777	4.3940	4.3940	3.9554
S8	3.6186	2.5758	3.6151	2.5717	1.7414	2.4531	1.7319		3.7332	3.0938	3.0938	2.8224
H9	4.9142	4.1005	2.5833	2.6994	2.1238	5.6420	4.5777	3.7332		1.7624	1.7624	1.0873
H10	5.3713	4.3909	3.6386	3.2808	2.1523	5.3467	4.3940	3.0938	1.7624		1.7615	1.0888
H11	5.3713	4.3909	3.6386	3.2808	2.1523	5.3467	4.3940	3.0938	1.7624	1.7615		1.0888
C12	4.7556	3.7953	2.8921	2.5751	1.4994	4.9731	3.9554	2.8224	1.0873	1.0888	1.0888

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.876	H1	C2	C7	123.956
C2	C4	H3	123.669	C2	C4	C5	113.110
C2	C7	H6	127.927	C2	C7	S8	112.087
H3	C4	C5	123.221	C4	C2	C7	112.168
C4	C5	S8	111.141	C4	C5	C12	127.918
C5	S8	C7	91.495	C5	C12	H9	109.342
C5	C12	H10	111.533	C5	C12	H11	111.533
H6	C7	S8	119.986	S8	C5	C12	120.941
H9	C12	H10	108.169	H9	C12	H11	108.169
H10	C12	H11	107.977

All results from a given calculation for C₅H₆S (Thiophene, 2-methyl-)

using model chemistry: MP3=FULL/6-31+G**

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, 2-methyl-)

using model chemistry: MP3=FULL/6-31+G**

States and conformations

All results from a given calculation for C₅H₆S (Thiophene, 2-methyl-)