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	hartrees
Energy at 0K	-591.157429
Energy at 298.15K
HF Energy	-590.343296
Nuclear repulsion energy	272.659445

Atom	x (Å)	y (Å)	z (Å)
H1	-2.394	-1.553	0.000
C2	-1.444	-1.035	0.000
H3	-2.151	1.070	0.000
C4	-1.310	0.388	0.000
C5	0.000	0.808	0.000
H6	-0.026	-2.730	0.000
C7	-0.226	-1.669	0.000
S8	1.087	-0.547	0.000
H9	-0.320	2.906	0.000
H10	1.129	2.417	0.883
H11	1.129	2.417	-0.883
C12	0.521	2.213	0.000

	H1	C2	H3	C4	C5	H6	C7	S8	H9	H10	H11	C12
H1		1.0816	2.6344	2.2224	3.3618	2.6437	2.1706	3.6230	4.9170	5.3797	5.3797	4.7620
C2	1.0816		2.2208	1.4290	2.3411	2.2096	1.3732	2.5776	4.0977	4.3944	4.3944	3.7961
H3	2.6344	2.2208		1.0826	2.1668	4.3538	3.3482	3.6194	2.5922	3.6532	3.6532	2.9058
C4	2.2224	1.4290	1.0826		1.3761	3.3718	2.3254	2.5734	2.7056	3.2931	3.2931	2.5856
C5	3.3618	2.3411	2.1668	1.3761		3.5378	2.4874	1.7372	2.1221	2.1543	2.1543	1.4987
H6	2.6437	2.2096	4.3538	3.3718	3.5378		1.0793	2.4503	5.6432	5.3480	5.3480	4.9733
C7	2.1706	1.3732	3.3482	2.3254	2.4874	1.0793		1.7273	4.5759	4.3943	4.3943	3.9536
S8	3.6230	2.5776	3.6194	2.5734	1.7372	2.4503	1.7273		3.7286	3.0929	3.0929	2.8178
H9	4.9170	4.0977	2.5922	2.7056	2.1221	5.6432	4.5759	3.7286		1.7654	1.7654	1.0894
H10	5.3797	4.3944	3.6532	3.2931	2.1543	5.3480	4.3943	3.0929	1.7654		1.7653	1.0908
H11	5.3797	4.3944	3.6532	3.2931	2.1543	5.3480	4.3943	3.0929	1.7654	1.7653		1.0908
C12	4.7620	3.7961	2.9058	2.5856	1.4987	4.9733	3.9536	2.8178	1.0894	1.0908	1.0908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.967	H1	C2	C7	123.882
C2	C4	H3	123.724	C2	C4	C5	113.133
C2	C7	H6	128.177	C2	C7	S8	111.974
H3	C4	C5	123.143	C4	C2	C7	112.151
C4	C5	S8	110.966	C4	C5	C12	128.108
C5	S8	C7	91.776	C5	C12	H9	109.134
C5	C12	H10	111.630	C5	C12	H11	111.630
H6	C7	S8	119.850	S8	C5	C12	120.926
H9	C12	H10	108.145	H9	C12	H11	108.145
H10	C12	H11	108.035

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

using model chemistry: MP2/6-31+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: MP2/6-31+G**

States and conformations

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