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	hartrees
Energy at 0K	-229.933520
Energy at 298.15K
HF Energy	-229.933520
Nuclear repulsion energy	161.066868

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3315	3172	0.03
2	A₁	3286	3143	1.43
3	A₁	1540	1473	19.09
4	A₁	1442	1380	3.35
5	A₁	1180	1129	0.53
6	A₁	1114	1066	13.01
7	A₁	1031	987	38.52
8	A₁	887	848	14.64
9	A₂	875	837	0.00
10	A₂	727	695	0.00
11	A₂	615	588	0.00
12	B₁	835	799	0.48
13	B₁	760	727	90.91
14	B₁	628	601	19.21
15	B₂	3310	3166	2.43
16	B₂	3274	3132	2.49
17	B₂	1622	1552	0.67
18	B₂	1297	1241	0.45
19	B₂	1241	1187	17.74
20	B₂	1079	1032	2.58
21	B₂	888	850	0.27

Atom	y (Å)	z (Å)
O1	0.000	1.157
C2	1.091	0.348
C3	-1.091	0.348
C4	0.716	-0.959
C5	-0.716	-0.959
H6	2.046	0.851
H7	-2.046	0.851
H8	1.374	-1.817
H9	-1.374	-1.817

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3581	1.3581	2.2341	2.2341	2.0691	2.0691	3.2766	3.2766
C2	1.3581		2.1816	1.3598	2.2300	1.0798	3.1771	2.1840	3.2807
C3	1.3581	2.1816		2.2300	1.3598	3.1771	1.0798	3.2807	2.1840
C4	2.2341	1.3598	2.2300		1.4319	2.2464	3.3025	1.0814	2.2590
C5	2.2341	2.2300	1.3598	1.4319		3.3025	2.2464	2.2590	1.0814
H6	2.0691	1.0798	3.1771	2.2464	3.3025		4.0925	2.7520	4.3379
H7	2.0691	3.1771	1.0798	3.3025	2.2464	4.0925		4.3379	2.7520
H8	3.2766	2.1840	3.2807	1.0814	2.2590	2.7520	4.3379		2.7473
H9	3.2766	3.2807	2.1840	2.2590	1.0814	4.3379	2.7520	2.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.568	O1	C2	H6	115.670
O1	C3	C5	110.568	O1	C3	H7	115.670
C2	O1	C3	106.863	C2	C4	C5	106.001
C2	C4	H8	126.542	C3	C5	C4	106.001
C3	C5	H9	126.542	C4	C2	H6	133.762
C4	C5	H9	127.458	C5	C3	H7	133.762
C5	C4	H8	127.458

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	-0.394
2	C	0.057
3	C	0.057
4	C	-0.218
5	C	-0.218
6	H	0.184
7	H	0.184
8	H	0.173
9	H	0.173

<r²>	80.874
(<r²>)^1/2	8.993

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)