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	hartrees
Energy at 0K	-228.666625
Energy at 298.15K
HF Energy	-228.666625
Nuclear repulsion energy	159.168054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3341	3211	0.09
2	A₁	3302	3174	0.02
3	A₁	1492	1434	7.96
4	A₁	1404	1350	11.12
5	A₁	1166	1121	0.07
6	A₁	1079	1037	1.14
7	A₁	1009	970	26.91
8	A₁	885	850	26.58
9	A₂	924	888	0.00
10	A₂	767	737	0.00
11	A₂	626	601	0.00
12	B₁	895	860	0.00
13	B₁	776	746	132.85
14	B₁	620	596	25.47
15	B₂	3330	3201	0.00
16	B₂	3291	3163	1.73
17	B₂	1584	1523	2.48
18	B₂	1296	1246	1.38
19	B₂	1185	1139	18.99
20	B₂	1044	1003	0.12
21	B₂	910	875	0.01

Atom	y (Å)	z (Å)
O1	0.000	1.180
C2	1.117	0.341
C3	-1.117	0.341
C4	0.722	-0.962
C5	-0.722	-0.962
H6	2.074	0.831
H7	-2.074	0.831
H8	1.364	-1.827
H9	-1.364	-1.827

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3965	1.3965	2.2596	2.2596	2.1032	2.1032	3.3013	3.3013
C2	1.3965		2.2340	1.3616	2.2537	1.0750	3.2284	2.1821	3.2949
C3	1.3965	2.2340		2.2537	1.3616	3.2284	1.0750	3.2949	2.1821
C4	2.2596	1.3616	2.2537		1.4437	2.2453	3.3212	1.0774	2.2582
C5	2.2596	2.2537	1.3616	1.4437		3.3212	2.2453	2.2582	1.0774
H6	2.1032	1.0750	3.2284	2.2453	3.3212		4.1481	2.7508	4.3455
H7	2.1032	3.2284	1.0750	3.3212	2.2453	4.1481		4.3455	2.7508
H8	3.3013	2.1821	3.2949	1.0774	2.2582	2.7508	4.3455		2.7281
H9	3.3013	3.2949	2.1821	2.2582	1.0774	4.3455	2.7508	2.7281

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.013	O1	C2	H6	116.026
O1	C3	C5	110.013	O1	C3	H7	116.026
C2	O1	C3	106.231	C2	C4	C5	106.871
C2	C4	H8	126.544	C3	C5	C4	106.871
C3	C5	H9	126.544	C4	C2	H6	133.961
C4	C5	H9	126.585	C5	C3	H7	133.961
C5	C4	H8	126.585

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: B3PW91/3-21G

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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Number	Element	Mulliken
1	O	-0.476
2	C	0.053
3	C	0.053
4	C	-0.284
5	C	-0.284
6	H	0.248
7	H	0.248
8	H	0.221
9	H	0.221

<r²>	82.506
(<r²>)^1/2	9.083

All results from a given calculation for C4H4O (Furan)

using model chemistry: B3PW91/3-21G

States and conformations

All results from a given calculation for C₄H₄O (Furan)