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	hartrees
Energy at 0K	-268.128130
Energy at 298.15K
HF Energy	-267.546887
Nuclear repulsion energy	218.199542

Atom	x (Å)	y (Å)	z (Å)
O1	1.069	-0.265	0.000
C2	0.000	0.675	0.000
C3	0.477	-1.553	0.000
C4	-1.199	-0.010	0.000
C5	-0.895	-1.430	0.000
C6	0.389	2.121	0.000
H7	1.169	-2.382	0.000
H8	-2.186	0.439	0.000
H9	-1.608	-2.247	0.000
H10	-0.518	2.739	0.000
H11	0.982	2.375	0.889
H12	0.982	2.375	-0.889

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.4231	1.4174	2.2818	2.2839	2.4804	2.1202	3.3301	3.3310	3.3971	2.7869	2.7869
C2	1.4231		2.2781	1.3808	2.2880	1.4972	3.2734	2.1988	3.3353	2.1280	2.1553	2.1553
C3	1.4174	2.2781		2.2775	1.3776	3.6744	1.0806	3.3254	2.1978	4.4054	4.0587	4.0587
C4	2.2818	1.3808	2.2775		1.4524	2.6575	3.3518	1.0847	2.2738	2.8321	3.3521	3.3521
C5	2.2839	2.2880	1.3776	1.4524		3.7764	2.2732	2.2720	1.0839	4.1865	4.3357	4.3357
C6	2.4804	1.4972	3.6744	2.6575	3.7764		4.5703	3.0756	4.8027	1.0979	1.0986	1.0986
H7	2.1202	3.2734	1.0806	3.3518	2.2732	4.5703		4.3839	2.7807	5.3922	4.8436	4.8436
H8	3.3301	2.1988	3.3254	1.0847	2.2720	3.0756	4.3839		2.7474	2.8409	3.8179	3.8179
H9	3.3310	3.3353	2.1978	2.2738	1.0839	4.8027	2.7807	2.7474		5.1036	5.3725	5.3725
H10	3.3971	2.1280	4.4054	2.8321	4.1865	1.0979	5.3922	2.8409	5.1036		1.7816	1.7816
H11	2.7869	2.1553	4.0587	3.3521	4.3357	1.0986	4.8436	3.8179	5.3725	1.7816		1.7783
H12	2.7869	2.1553	4.0587	3.3521	4.3357	1.0986	4.8436	3.8179	5.3725	1.7816	1.7783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	108.923	O1	C2	C6	116.265
O1	C3	C5	109.598	O1	C3	H7	115.491
C2	O1	C3	106.645	C2	C4	C5	107.687
C2	C4	H8	125.777	C2	C6	H10	109.205
C2	C6	H11	111.338	C2	C6	H12	111.338
C3	C5	C6	75.201	C3	C5	H9	126.055
C4	C2	C6	134.813	C4	C5	H9	126.797
C5	C3	H7	134.910	C5	C4	H8	126.535
H10	C6	H11	108.403	H10	C6	H12	108.403
H11	C6	H12	108.062

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

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

Conformer 1 (C1)

Conformer 2 (CS)

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