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	hartrees
Energy at 0K	-229.864646
Energy at 298.15K
HF Energy	-229.864646
Nuclear repulsion energy	159.426697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3360	3217	0.00
2	A₁	3313	3172	0.70
3	A₁	1517	1452	13.76
4	A₁	1427	1367	5.67
5	A₁	1173	1123	0.08
6	A₁	1094	1048	0.57
7	A₁	1011	969	39.78
8	A₁	886	848	23.59
9	A₂	924	885	0.00
10	A₂	759	727	0.00
11	A₂	620	594	0.00
12	B₁	881	844	0.69
13	B₁	774	741	122.49
14	B₁	618	592	24.54
15	B₂	3351	3209	0.16
16	B₂	3299	3159	3.67
17	B₂	1611	1543	1.57
18	B₂	1301	1246	1.00
19	B₂	1198	1147	21.82
20	B₂	1059	1014	0.04
21	B₂	900	862	0.10

Atom	y (Å)	z (Å)
O1	0.000	1.172
C2	1.116	0.344
C3	-1.116	0.344
C4	0.720	-0.961
C5	-0.720	-0.961
H6	2.069	0.843
H7	-2.069	0.843
H8	1.364	-1.826
H9	-1.364	-1.826

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3899	1.3899	2.2512	2.2512	2.0951	2.0951	3.2940	3.2940
C2	1.3899		2.2327	1.3637	2.2529	1.0754	3.2242	2.1843	3.2959
C3	1.3899	2.2327		2.2529	1.3637	3.2242	1.0754	3.2959	2.1843
C4	2.2512	1.3637	2.2529		1.4402	2.2523	3.3216	1.0787	2.2568
C5	2.2512	2.2529	1.3637	1.4402		3.3216	2.2523	2.2568	1.0787
H6	2.0951	1.0754	3.2242	2.2523	3.3216		4.1382	2.7605	4.3487
H7	2.0951	3.2242	1.0754	3.3216	2.2523	4.1382		4.3487	2.7605
H8	3.2940	2.1843	3.2959	1.0787	2.2568	2.7605	4.3487		2.7284
H9	3.2940	3.2959	2.1843	2.2568	1.0787	4.3487	2.7605	2.7284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	109.675	O1	C2	H6	115.801
O1	C3	C5	109.675	O1	C3	H7	115.801
C2	O1	C3	106.868	C2	C4	C5	106.891
C2	C4	H8	126.447	C3	C5	C4	106.891
C3	C5	H9	126.447	C4	C2	H6	134.525
C4	C5	H9	126.662	C5	C3	H7	134.525
C5	C4	H8	126.662

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: B3PW91/6-31G

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	-0.488
2	C	0.066
3	C	0.066
4	C	-0.203
5	C	-0.203
6	H	0.200
7	H	0.200
8	H	0.180
9	H	0.180

<r²>	82.305
(<r²>)^1/2	9.072

All results from a given calculation for C4H4O (Furan)

using model chemistry: B3PW91/6-31G

States and conformations

All results from a given calculation for C₄H₄O (Furan)