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	hartrees
Energy at 0K	-268.611555
Energy at 298.15K
HF Energy	-267.720415
Nuclear repulsion energy	222.367848

Atom	x (Å)	y (Å)	z (Å)
O1	1.035	-0.243	0.000
C2	0.000	0.643	0.000
C3	0.495	-1.492	0.000
C4	-1.187	-0.024	0.000
C5	-0.862	-1.431	0.000
C6	0.364	2.090	0.000
H7	1.203	-2.309	0.000
H8	-2.173	0.423	0.000
H9	-1.546	-2.269	0.000
H10	-0.542	2.702	0.000
H11	0.957	2.345	0.886
H12	0.957	2.345	-0.886

	O1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12
O1		1.3627	1.3607	2.2333	2.2380	2.4276	2.0729	3.2767	3.2814	3.3411	2.7367	2.7367
C2	1.3627		2.1916	1.3617	2.2452	1.4920	3.1877	2.1839	3.2965	2.1295	2.1442	2.1442
C3	1.3607	2.1916		2.2328	1.3585	3.5843	1.0809	3.2845	2.1844	4.3207	3.9650	3.9650
C4	2.2333	1.3617	2.2328		1.4434	2.6220	3.3065	1.0826	2.2728	2.8017	3.3157	3.3157
C5	2.2380	2.2452	1.3585	1.4434		3.7275	2.2438	2.2706	1.0821	4.1450	4.2832	4.2832
C6	2.4276	1.4920	3.5843	2.6220	3.7275		4.4783	3.0351	4.7585	1.0935	1.0961	1.0961
H7	2.0729	3.1877	1.0809	3.3065	2.2438	4.4783		4.3431	2.7495	5.3065	4.7443	4.7443
H8	3.2767	2.1839	3.2845	1.0826	2.2706	3.0351	4.3431		2.7637	2.8022	3.7777	3.7777
H9	3.2814	3.2965	2.1844	2.2728	1.0821	4.7585	2.7495	2.7637		5.0710	5.3230	5.3230
H10	3.3411	2.1295	4.3207	2.8017	4.1450	1.0935	5.3065	2.8022	5.0710		1.7773	1.7773
H11	2.7367	2.1442	3.9650	3.3157	4.2832	1.0961	4.7443	3.7777	5.3230	1.7773		1.7718
H12	2.7367	2.1442	3.9650	3.3157	4.2832	1.0961	4.7443	3.7777	5.3230	1.7773	1.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.116	O1	C2	C6	116.437
O1	C3	C5	110.781	O1	C3	H7	115.733
C2	O1	C3	107.170	C2	C4	C5	106.301
C2	C4	H8	126.247	C2	C6	H10	109.941
C2	C6	H11	110.962	C2	C6	H12	110.962
C3	C5	C6	73.406	C3	C5	H9	126.651
C4	C2	C6	133.447	C4	C5	H9	127.718
C5	C3	H7	133.486	C5	C4	H8	127.452
H10	C6	H11	108.522	H10	C6	H12	108.522
H11	C6	H12	107.848

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)