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	hartrees
Energy at 0K	-229.854865
Energy at 298.15K
HF Energy	-229.854865
Nuclear repulsion energy	161.837255

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3297	3297	0.02	207.48	0.12	0.21
2	A₁	3270	3270	0.03	29.23	0.31	0.47
3	A₁	1530	1530	20.96	60.05	0.10	0.18
4	A₁	1431	1431	2.64	19.51	0.30	0.46
5	A₁	1176	1176	0.67	34.62	0.12	0.21
6	A₁	1111	1111	15.09	5.80	0.11	0.19
7	A₁	1026	1026	40.54	1.01	0.29	0.45
8	A₁	892	892	13.67	0.21	0.62	0.76
9	A₂	901	901	0.00	0.56	0.75	0.86
10	A₂	747	747	0.00	2.04	0.75	0.86
11	A₂	619	619	0.00	0.06	0.75	0.86
12	B₁	869	869	0.19	1.85	0.75	0.86
13	B₁	767	767	111.20	0.03	0.75	0.86
14	B₁	631	631	24.07	0.79	0.75	0.86
15	B₂	3290	3290	0.12	10.47	0.75	0.86
16	B₂	3259	3259	1.94	94.06	0.75	0.86
17	B₂	1609	1609	0.03	0.19	0.75	0.86
18	B₂	1293	1293	0.31	0.61	0.75	0.86
19	B₂	1231	1231	17.63	0.06	0.75	0.86
20	B₂	1072	1072	2.75	4.99	0.75	0.86
21	B₂	892	892	0.80	2.73	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.150
C2	1.086	0.347
C3	-1.086	0.347
C4	0.714	-0.953
C5	-0.714	-0.953
H6	2.041	0.844
H7	-2.041	0.844
H8	1.371	-1.807
H9	-1.371	-1.807

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3506	1.3506	2.2215	2.2215	2.0638	2.0638	3.2596	3.2596
C2	1.3506		2.1718	1.3529	2.2204	1.0762	3.1659	2.1731	3.2674
C3	1.3506	2.1718		2.2204	1.3529	3.1659	1.0762	3.2674	2.1731
C4	2.2215	1.3529	2.2204		1.4273	2.2340	3.2888	1.0773	2.2523
C5	2.2215	2.2204	1.3529	1.4273		3.2888	2.2340	2.2523	1.0773
H6	2.0638	1.0762	3.1659	2.2340	3.2888		4.0817	2.7342	4.3203
H7	2.0638	3.1659	1.0762	3.2888	2.2340	4.0817		4.3203	2.7342
H8	3.2596	2.1731	3.2674	1.0773	2.2523	2.7342	4.3203		2.7413
H9	3.2596	3.2674	2.1731	2.2523	1.0773	4.3203	2.7342	2.7413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.512	O1	C2	H6	116.051
O1	C3	C5	110.512	O1	C3	H7	116.051
C2	O1	C3	107.033	C2	C4	C5	105.972
C2	C4	H8	126.446	C3	C5	C4	105.972
C3	C5	H9	126.446	C4	C2	H6	133.437
C4	C5	H9	127.582	C5	C3	H7	133.437
C5	C4	H8	127.582

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	-0.598
2	C	0.107
3	C	0.107
4	C	-0.086
5	C	-0.086
6	H	0.145
7	H	0.145
8	H	0.133
9	H	0.133

<r²>	80.793
(<r²>)^1/2	8.988

All results from a given calculation for C4H4O (Furan)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄O (Furan)