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	hartrees
Energy at 0K	-229.833544
Energy at 298.15K
HF Energy	-229.833544
Nuclear repulsion energy	161.558301

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	3304	3173	0.02	203.47	0.14	0.25
2	A₁	3275	3145	0.23	29.99	0.30	0.46
3	A₁	1533	1473	20.26	37.87	0.19	0.32
4	A₁	1432	1376	2.36	13.83	0.41	0.58
5	A₁	1176	1129	0.95	27.20	0.21	0.34
6	A₁	1112	1068	16.50	5.76	0.26	0.41
7	A₁	1026	985	44.21	0.80	0.24	0.39
8	A₁	893	858	13.57	0.59	0.70	0.82
9	A₂	892	856	0.00	0.83	0.75	0.86
10	A₂	745	715	0.00	0.24	0.75	0.86
11	A₂	619	595	0.00	0.01	0.75	0.86
12	B₁	860	826	0.06	0.33	0.75	0.86
13	B₁	766	735	108.34	0.76	0.75	0.86
14	B₁	632	607	25.25	1.85	0.75	0.86
15	B₂	3297	3166	0.69	12.83	0.75	0.86
16	B₂	3264	3135	2.31	100.33	0.75	0.86
17	B₂	1614	1551	0.70	0.50	0.75	0.86
18	B₂	1285	1234	0.24	0.68	0.75	0.86
19	B₂	1231	1183	17.86	0.37	0.75	0.86
20	B₂	1069	1027	3.96	4.90	0.75	0.86
21	B₂	896	860	0.36	3.79	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.153
C2	1.087	0.348
C3	-1.087	0.348
C4	0.715	-0.956
C5	-0.715	-0.956
H6	2.042	0.847
H7	-2.042	0.847
H8	1.372	-1.811
H9	-1.372	-1.811

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3532	1.3532	2.2265	2.2265	2.0650	2.0650	3.2662	3.2662
C2	1.3532		2.1746	1.3554	2.2238	1.0775	3.1691	2.1771	3.2723
C3	1.3532	2.1746		2.2238	1.3554	3.1691	1.0775	3.2723	2.1771
C4	2.2265	1.3554	2.2238		1.4292	2.2386	3.2937	1.0788	2.2553
C5	2.2265	2.2238	1.3554	1.4292		3.2937	2.2386	2.2553	1.0788
H6	2.0650	1.0775	3.1691	2.2386	3.2937		4.0844	2.7408	4.3268
H7	2.0650	3.1691	1.0775	3.2937	2.2386	4.0844		4.3268	2.7408
H8	3.2662	2.1771	3.2723	1.0788	2.2553	2.7408	4.3268		2.7445
H9	3.2662	3.2723	2.1771	2.2553	1.0788	4.3268	2.7408	2.7445

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.572	O1	C2	H6	115.865
O1	C3	C5	110.572	O1	C3	H7	115.865
C2	O1	C3	106.935	C2	C4	C5	105.961
C2	C4	H8	126.478	C3	C5	C4	105.961
C3	C5	H9	126.478	C4	C2	H6	133.563
C4	C5	H9	127.561	C5	C3	H7	133.563
C5	C4	H8	127.561

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	-0.222
2	C	0.063
3	C	0.063
4	C	-0.189
5	C	-0.189
6	H	0.124
7	H	0.124
8	H	0.112
9	H	0.112

<r²>	80.801
(<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)