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	hartrees
Energy at 0K	-229.452801
Energy at 298.15K	-229.457545
Nuclear repulsion energy	160.580382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3309	3157	0.04
2	A₁	3280	3129	0.53
3	A₁	1548	1477	22.72
4	A₁	1433	1367	2.84
5	A₁	1173	1120	0.22
6	A₁	1099	1048	18.05
7	A₁	1022	975	39.07
8	A₁	888	848	13.50
9	A₂	829	790	0.00
10	A₂	738	704	0.00
11	A₂	582	555	0.00
12	B₁	848	809	0.60
13	B₁	766	731	96.04
14	B₁	611	583	26.08
15	B₂	3302	3150	2.51
16	B₂	3268	3118	2.36
17	B₂	1622	1547	0.20
18	B₂	1294	1235	0.42
19	B₂	1238	1181	25.54
20	B₂	1074	1024	0.42
21	B₂	890	849	0.40

Atom	y (Å)	z (Å)
O1	0.000	1.163
C2	1.093	0.348
C3	-1.093	0.348
C4	0.723	-0.961
C5	-0.723	-0.961
H6	2.049	0.848
H7	-2.049	0.848
H8	1.382	-1.818
H9	-1.382	-1.818

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3631	1.3631	2.2438	2.2438	2.0731	2.0731	3.2855	3.2855
C2	1.3631		2.1851	1.3605	2.2381	1.0796	3.1813	2.1848	3.2885
C3	1.3631	2.1851		2.2381	1.3605	3.1813	1.0796	3.2885	2.1848
C4	2.2438	1.3605	2.2381		1.4453	2.2439	3.3103	1.0809	2.2724
C5	2.2438	2.2381	1.3605	1.4453		3.3103	2.2439	2.2724	1.0809
H6	2.0731	1.0796	3.1813	2.2439	3.3103		4.0982	2.7483	4.3454
H7	2.0731	3.1813	1.0796	3.3103	2.2439	4.0982		4.3454	2.7483
H8	3.2855	2.1848	3.2885	1.0809	2.2724	2.7483	4.3454		2.7646
H9	3.2855	3.2885	2.1848	2.2724	1.0809	4.3454	2.7483	2.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.944	O1	C2	H6	115.651
O1	C3	C5	110.944	O1	C3	H7	115.651
C2	O1	C3	106.557	C2	C4	C5	105.778
C2	C4	H8	126.612	C3	C5	C4	105.778
C3	C5	H9	126.612	C4	C2	H6	133.406
C4	C5	H9	127.610	C5	C3	H7	133.406
C5	C4	H8	127.610

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: QCISD/6-311G**

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: QCISD/6-311G**

States and conformations

All results from a given calculation for C₄H₄O (Furan)