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	hartrees
Energy at 0K	-227.851657
Energy at 298.15K	-227.856359
HF Energy	-227.344942
Nuclear repulsion energy	157.567590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3192	0.13
2	A₁	3251	3151	0.51
3	A₁	1494	1448	8.77
4	A₁	1393	1350	13.00
5	A₁	1172	1136	0.05
6	A₁	1022	991	1.48
7	A₁	981	951	17.46
8	A₁	868	842	32.10
9	A₂	831	806	0.00
10	A₂	744	721	0.00
11	A₂	600	581	0.00
12	B₁	857	831	0.20
13	B₁	758	734	101.89
14	B₁	594	576	32.00
15	B₂	3283	3182	1.09
16	B₂	3239	3140	2.02
17	B₂	1577	1529	0.93
18	B₂	1305	1265	2.25
19	B₂	1181	1145	21.13
20	B₂	1036	1004	3.52
21	B₂	902	874	0.17

Atom	y (Å)	z (Å)
O1	0.000	1.197
C2	1.130	0.338
C3	-1.130	0.338
C4	0.733	-0.968
C5	-0.733	-0.968
H6	2.090	0.831
H7	-2.090	0.831
H8	1.377	-1.838
H9	-1.377	-1.838

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.4190	1.4190	2.2862	2.2862	2.1220	2.1220	3.3328	3.3328
C2	1.4190		2.2595	1.3655	2.2758	1.0794	3.2574	2.1904	3.3199
C3	1.4190	2.2595		2.2758	1.3655	3.2574	1.0794	3.3199	2.1904
C4	2.2862	1.3655	2.2758		1.4669	2.2536	3.3482	1.0820	2.2829
C5	2.2862	2.2758	1.3655	1.4669		3.3482	2.2536	2.2829	1.0820
H6	2.1220	1.0794	3.2574	2.2536	3.3482		4.1803	2.7626	4.3757
H7	2.1220	3.2574	1.0794	3.3482	2.2536	4.1803		4.3757	2.7626
H8	3.3328	2.1904	3.3199	1.0820	2.2829	2.7626	4.3757		2.7546
H9	3.3328	3.3199	2.1904	2.2829	1.0820	4.3757	2.7626	2.7546

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.361	O1	C2	H6	115.611
O1	C3	C5	110.361	O1	C3	H7	115.611
C2	O1	C3	105.534	C2	C4	C5	106.872
C2	C4	H8	126.611	C3	C5	C4	106.872
C3	C5	H9	126.611	C4	C2	H6	134.028
C4	C5	H9	126.518	C5	C3	H7	134.028
C5	C4	H8	126.518

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: QCISD/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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All results from a given calculation for C4H4O (Furan)

using model chemistry: QCISD/3-21G

States and conformations

All results from a given calculation for C₄H₄O (Furan)