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	hartrees
Energy at 0K	-229.983878
Energy at 298.15K
HF Energy	-229.983878
Nuclear repulsion energy	161.321998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3292	3169	0.01
2	A₁	3261	3139	2.05
3	A₁	1528	1471	19.75
4	A₁	1429	1376	2.87
5	A₁	1174	1130	0.48
6	A₁	1105	1064	15.23
7	A₁	1023	985	44.16
8	A₁	890	857	14.50
9	A₂	869	837	0.00
10	A₂	726	699	0.00
11	A₂	616	593	0.00
12	B₁	835	804	0.07
13	B₁	754	726	113.96
14	B₁	628	605	25.36
15	B₂	3285	3163	3.47
16	B₂	3249	3128	3.07
17	B₂	1608	1548	0.72
18	B₂	1289	1241	0.14
19	B₂	1221	1176	19.37
20	B₂	1067	1028	3.58
21	B₂	894	861	0.33

Atom	y (Å)	z (Å)
O1	0.000	1.155
C2	1.089	0.347
C3	-1.089	0.347
C4	0.715	-0.957
C5	-0.715	-0.957
H6	2.043	0.851
H7	-2.043	0.851
H8	1.373	-1.814
H9	-1.373	-1.814

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3560	1.3560	2.2305	2.2305	2.0653	2.0653	3.2716	3.2716
C2	1.3560		2.1778	1.3569	2.2265	1.0785	3.1718	2.1800	3.2761
C3	1.3560	2.1778		2.2265	1.3569	3.1718	1.0785	3.2761	2.1800
C4	2.2305	1.3569	2.2265		1.4308	2.2428	3.2978	1.0802	2.2574
C5	2.2305	2.2265	1.3569	1.4308		3.2978	2.2428	2.2574	1.0802
H6	2.0653	1.0785	3.1718	2.2428	3.2978		4.0854	2.7477	4.3323
H7	2.0653	3.1718	1.0785	3.2978	2.2428	4.0854		4.3323	2.7477
H8	3.2716	2.1800	3.2761	1.0802	2.2574	2.7477	4.3323		2.7461
H9	3.2716	3.2761	2.1800	2.2574	1.0802	4.3323	2.7477	2.7461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.604	O1	C2	H6	115.596
O1	C3	C5	110.604	O1	C3	H7	115.596
C2	O1	C3	106.839	C2	C4	C5	105.977
C2	C4	H8	126.519	C3	C5	C4	105.977
C3	C5	H9	126.519	C4	C2	H6	133.800
C4	C5	H9	127.505	C5	C3	H7	133.800
C5	C4	H8	127.505

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: B3PW91/6-311G*

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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Number	Element	Mulliken
1	O	-0.224
2	C	-0.039
3	C	-0.039
4	C	-0.282
5	C	-0.282
6	H	0.223
7	H	0.223
8	H	0.209
9	H	0.209

<r²>	80.944
(<r²>)^1/2	8.997

All results from a given calculation for C4H4O (Furan)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₄H₄O (Furan)