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	hartrees
Energy at 0K	-268.588252
Energy at 298.15K
HF Energy	-267.697624
Nuclear repulsion energy	220.653506

Atom	x (Å)	y (Å)	z (Å)
O1	1.047	-0.241	0.000
C2	0.000	0.654	0.000
C3	0.507	-1.504	0.000
C4	-1.198	-0.035	0.000
C5	-0.870	-1.436	0.000
C6	0.360	2.103	0.000
H7	1.220	-2.325	0.000
H8	-2.189	0.415	0.000
H9	-1.553	-2.284	0.000
H10	-0.560	2.704	0.000
H11	0.951	2.366	0.892
H12	0.951	2.366	-0.892

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3777	1.3736	2.2541	2.2587	2.4425	2.0912	3.3015	3.3060	3.3551	2.7573	2.7573
C2	1.3777		2.2174	1.3821	2.2641	1.4927	3.2195	2.2015	3.3230	2.1249	2.1517	2.1517
C3	1.3736	2.2174		2.2505	1.3788	3.6101	1.0868	3.3097	2.2025	4.3417	3.9964	3.9964
C4	2.2541	1.3821	2.2505		1.4386	2.6457	3.3296	1.0887	2.2761	2.8128	3.3433	3.3433
C5	2.2587	2.2641	1.3788	1.4386		3.7467	2.2707	2.2733	1.0884	4.1518	4.3087	4.3087
C6	2.4425	1.4927	3.6101	2.6457	3.7467		4.5106	3.0568	4.7855	1.0994	1.1017	1.1017
H7	2.0912	3.2195	1.0868	3.3296	2.2707	4.5106		4.3735	2.7726	5.3349	4.7828	4.7828
H8	3.3015	2.2015	3.3097	1.0887	2.2733	3.0568	4.3735		2.7731	2.8089	3.8019	3.8019
H9	3.3060	3.3230	2.2025	2.2761	1.0884	4.7855	2.7726	2.7731		5.0857	5.3555	5.3555
H10	3.3551	2.1249	4.3417	2.8128	4.1518	1.0994	5.3349	2.8089	5.0857		1.7867	1.7867
H11	2.7573	2.1517	3.9964	3.3433	4.3087	1.1017	4.7828	3.8019	5.3555	1.7867		1.7848
H12	2.7573	2.1517	3.9964	3.3433	4.3087	1.1017	4.7828	3.8019	5.3555	1.7867	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	109.525	O1	C2	C6	116.563
O1	C3	C5	110.297	O1	C3	H7	115.919
C2	O1	C3	107.405	C2	C4	C5	106.759
C2	C4	H8	125.590	C2	C6	H10	109.185
C2	C6	H11	111.165	C2	C6	H12	111.165
C3	C5	C6	73.668	C3	C5	H9	126.023
C4	C2	C6	133.912	C4	C5	H9	127.963
C5	C3	H7	133.785	C5	C4	H8	127.651
H10	C6	H11	108.528	H10	C6	H12	108.528
H11	C6	H12	108.194

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

Conformer 1 (C1)

Conformer 2 (CS)

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