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	hartrees
Energy at 0K	-228.725673
Energy at 298.15K
HF Energy	-228.725673
Nuclear repulsion energy	163.020177

Atom	y (Å)	z (Å)
O1	0.000	1.138
C2	1.078	0.344
C3	-1.078	0.344
C4	0.720	-0.943
C5	-0.720	-0.943
H6	2.027	0.829
H7	-2.027	0.829
H8	1.374	-1.786
H9	-1.374	-1.786

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3392	1.3392	2.2019	2.2019	2.0507	2.0507	3.2309	3.2309
C2	1.3392		2.1564	1.3356	2.2109	1.0660	3.1432	2.1502	3.2480
C3	1.3392	2.1564		2.2109	1.3356	3.1432	1.0660	3.2480	2.1502
C4	2.2019	1.3356	2.2109		1.4395	2.2022	3.2690	1.0673	2.2573
C5	2.2019	2.2109	1.3356	1.4395		3.2690	2.2022	2.2573	1.0673
H6	2.0507	1.0660	3.1432	2.2022	3.2690		4.0545	2.6955	4.2905
H7	2.0507	3.1432	1.0660	3.2690	2.2022	4.0545		4.2905	2.6955
H8	3.2309	2.1502	3.2480	1.0673	2.2573	2.6955	4.2905		2.7482
H9	3.2309	3.2480	2.1502	2.2573	1.0673	4.2905	2.6955	2.7482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.812	O1	C2	H6	116.532
O1	C3	C5	110.812	O1	C3	H7	116.532
C2	O1	C3	107.241	C2	C4	C5	105.567
C2	C4	H8	126.619	C3	C5	C4	105.567
C3	C5	H9	126.619	C4	C2	H6	132.655
C4	C5	H9	127.814	C5	C3	H7	132.655
C5	C4	H8	127.814

Number	Element	Mulliken
1	O	-0.639
2	C	-0.264
3	C	-0.264
4	C	-0.537
5	C	-0.537
6	H	0.623
7	H	0.623
8	H	0.497
9	H	0.497

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: HF/aug-cc-pVQZ

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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<r²>	80.027
(<r²>)^1/2	8.946

All results from a given calculation for C4H4O (Furan)

using model chemistry: HF/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₄H₄O (Furan)