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	hartrees
Energy at 0K	-229.825497
Energy at 298.15K
HF Energy	-229.825497
Nuclear repulsion energy	161.553251

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	3306	3173	0.02	194.18	0.15	0.25
2	A₁	3276	3143	1.71	33.10	0.27	0.42
3	A₁	1539	1477	20.84	35.61	0.19	0.32
4	A₁	1438	1380	2.59	14.10	0.41	0.58
5	A₁	1180	1132	0.77	26.42	0.21	0.35
6	A₁	1113	1068	16.56	5.78	0.23	0.37
7	A₁	1028	987	43.83	0.79	0.22	0.36
8	A₁	894	858	14.07	0.64	0.71	0.83
9	A₂	874	839	0.00	0.93	0.75	0.86
10	A₂	732	703	0.00	0.21	0.75	0.86
11	A₂	619	594	0.00	0.01	0.75	0.86
12	B₁	841	807	0.01	0.28	0.75	0.86
13	B₁	759	728	113.15	0.82	0.75	0.86
14	B₁	632	607	26.46	1.89	0.75	0.86
15	B₂	3300	3166	3.16	15.04	0.75	0.86
16	B₂	3264	3132	2.97	98.41	0.75	0.86
17	B₂	1619	1554	0.80	0.51	0.75	0.86
18	B₂	1293	1241	0.23	0.69	0.75	0.86
19	B₂	1233	1184	19.21	0.41	0.75	0.86
20	B₂	1073	1030	3.99	4.59	0.75	0.86
21	B₂	898	862	0.34	3.76	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.153
C2	1.087	0.347
C3	-1.087	0.347
C4	0.715	-0.956
C5	-0.715	-0.956
H6	2.040	0.850
H7	-2.040	0.850
H8	1.373	-1.812
H9	-1.373	-1.812

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3529	1.3529	2.2269	2.2269	2.0628	2.0628	3.2676	3.2676
C2	1.3529		2.1736	1.3554	2.2235	1.0782	3.1674	2.1783	3.2730
C3	1.3529	2.1736		2.2235	1.3554	3.1674	1.0782	3.2730	2.1783
C4	2.2269	1.3554	2.2235		1.4295	2.2406	3.2945	1.0798	2.2562
C5	2.2269	2.2235	1.3554	1.4295		3.2945	2.2406	2.2562	1.0798
H6	2.0628	1.0782	3.1674	2.2406	3.2945		4.0809	2.7449	4.3288
H7	2.0628	3.1674	1.0782	3.2945	2.2406	4.0809		4.3288	2.7449
H8	3.2676	2.1783	3.2730	1.0798	2.2562	2.7449	4.3288		2.7454
H9	3.2676	3.2730	2.1783	2.2562	1.0798	4.3288	2.7449	2.7454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.623	O1	C2	H6	115.639
O1	C3	C5	110.623	O1	C3	H7	115.639
C2	O1	C3	106.890	C2	C4	C5	105.932
C2	C4	H8	126.524	C3	C5	C4	105.932
C3	C5	H9	126.524	C4	C2	H6	133.739
C4	C5	H9	127.544	C5	C3	H7	133.739
C5	C4	H8	127.544

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: HSEh1PBE/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	-0.219
2	C	-0.043
3	C	-0.043
4	C	-0.286
5	C	-0.286
6	H	0.226
7	H	0.226
8	H	0.212
9	H	0.212

<r²>	80.803
(<r²>)^1/2	8.989

All results from a given calculation for C4H4O (Furan)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for C₄H₄O (Furan)