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	hartrees
Energy at 0K	-268.657306
Energy at 298.15K
HF Energy	-267.731289
Nuclear repulsion energy	222.411264

Atom	x (Å)	y (Å)	z (Å)
O1	1.036	-0.242	0.000
C2	0.000	0.642	0.000
C3	0.497	-1.492	0.000
C4	-1.187	-0.026	0.000
C5	-0.860	-1.431	0.000
C6	0.361	2.091	0.000
H7	1.203	-2.308	0.000
H8	-2.170	0.423	0.000
H9	-1.542	-2.269	0.000
H10	-0.549	2.697	0.000
H11	0.951	2.346	0.887
H12	0.951	2.346	-0.887

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3620	1.3603	2.2333	2.2378	2.4291	2.0724	3.2744	3.2792	3.3396	2.7375	2.7375
C2	1.3620		2.1905	1.3616	2.2443	1.4933	3.1857	2.1812	3.2942	2.1273	2.1438	2.1438
C3	1.3603	2.1905		2.2329	1.3586	3.5850	1.0792	3.2833	2.1825	4.3172	3.9648	3.9648
C4	2.2333	1.3616	2.2329		1.4433	2.6218	3.3047	1.0807	2.2717	2.7961	3.3139	3.3139
C5	2.2378	2.2443	1.3586	1.4433		3.7277	2.2415	2.2703	1.0804	4.1399	4.2820	4.2820
C6	2.4291	1.4933	3.5850	2.6218	3.7277		4.4789	3.0311	4.7572	1.0933	1.0957	1.0957
H7	2.0724	3.1857	1.0792	3.3047	2.2415	4.4789		4.3399	2.7451	5.3028	4.7446	4.7446
H8	3.2744	2.1812	3.2833	1.0807	2.2703	3.0311	4.3399		2.7644	2.7926	3.7721	3.7721
H9	3.2792	3.2942	2.1825	2.2717	1.0804	4.7572	2.7451	2.7644		5.0644	5.3201	5.3201
H10	3.3396	2.1273	4.3172	2.7961	4.1399	1.0933	5.3028	2.7926	5.0644		1.7780	1.7780
H11	2.7375	2.1438	3.9648	3.3139	4.2820	1.0957	4.7446	3.7721	5.3201	1.7780		1.7738
H12	2.7375	2.1438	3.9648	3.3139	4.2820	1.0957	4.7446	3.7721	5.3201	1.7780	1.7738

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.172	O1	C2	C6	116.506
O1	C3	C5	110.784	O1	C3	H7	115.840
C2	O1	C3	107.155	C2	C4	C5	106.256
C2	C4	H8	126.146	C2	C6	H10	109.688
C2	C6	H11	110.866	C2	C6	H12	110.866
C3	C5	C6	73.429	C3	C5	H9	126.595
C4	C2	C6	133.322	C4	C5	H9	127.773
C5	C3	H7	133.376	C5	C4	H8	127.598
H10	C6	H11	108.634	H10	C6	H12	108.634
H11	C6	H12	108.087

All results from a given calculation for C₅H₆O (2-methylfuran)

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

States and conformations

Conformer 1 (C1)

Conformer 2 (CS)

	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 C5H6O (2-methylfuran)

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

States and conformations

Conformer 1 (C1)

Conformer 2 (CS)

All results from a given calculation for C₅H₆O (2-methylfuran)