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	hartrees
Energy at 0K	-229.360021
Energy at 298.15K
HF Energy	-228.631337
Nuclear repulsion energy	160.957718

Atom	y (Å)	z (Å)
O1	0.000	1.163
C2	1.090	0.348
C3	-1.090	0.348
C4	0.721	-0.961
C5	-0.721	-0.961
H6	2.044	0.840
H7	-2.044	0.840
H8	1.374	-1.814
H9	-1.374	-1.814

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3606	1.3606	2.2427	2.2427	2.0696	2.0696	3.2790	3.2790
C2	1.3606		2.1791	1.3599	2.2338	1.0741	3.1722	2.1810	3.2778
C3	1.3606	2.1791		2.2338	1.3599	3.1722	1.0741	3.2778	2.1810
C4	2.2427	1.3599	2.2338		1.4413	2.2351	3.2997	1.0748	2.2617
C5	2.2427	2.2338	1.3599	1.4413		3.2997	2.2351	2.2617	1.0748
H6	2.0696	1.0741	3.1722	2.2351	3.2997		4.0886	2.7379	4.3278
H7	2.0696	3.1722	1.0741	3.2997	2.2351	4.0886		4.3278	2.7379
H8	3.2790	2.1810	3.2778	1.0748	2.2617	2.7379	4.3278		2.7476
H9	3.2790	3.2778	2.1810	2.2617	1.0748	4.3278	2.7379	2.7476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	111.054	O1	C2	H6	115.936
O1	C3	C5	111.054	O1	C3	H7	115.936
C2	O1	C3	106.410	C2	C4	C5	105.741
C2	C4	H8	126.834	C3	C5	C4	105.741
C3	C5	H9	126.834	C4	C2	H6	133.010
C4	C5	H9	127.426	C5	C3	H7	133.010
C5	C4	H8	127.426

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: MP3/6-31+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 C4H4O (Furan)

using model chemistry: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₄O (Furan)