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	hartrees
Energy at 0K	-229.859953
Energy at 298.15K	-229.855258
HF Energy	-228.625214
Nuclear repulsion energy	162.572609

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	3485	3284	0.10	174.05	0.13	0.23
2	A₁	3448	3248	2.62	38.46	0.19	0.32
3	A₁	1681	1584	32.36	39.79	0.20	0.34
4	A₁	1553	1463	3.10	18.40	0.38	0.55
5	A₁	1269	1196	0.72	26.00	0.35	0.52
6	A₁	1162	1094	42.04	6.95	0.11	0.20
7	A₁	1093	1029	32.51	0.20	0.49	0.65
8	A₁	957	901	20.86	0.62	0.64	0.78
9	A₂	1011	953	0.00	1.95	0.75	0.86
10	A₂	854	805	0.00	2.42	0.75	0.86
11	A₂	663	625	0.00	0.18	0.75	0.86
12	B₁	990	933	0.18	0.57	0.75	0.86
13	B₁	862	812	89.29	1.20	0.75	0.86
14	B₁	660	622	34.54	3.24	0.75	0.86
15	B₂	3479	3278	6.32	16.69	0.75	0.86
16	B₂	3435	3237	4.53	91.23	0.75	0.86
17	B₂	1770	1668	2.08	1.55	0.75	0.86
18	B₂	1417	1335	0.21	0.55	0.75	0.86
19	B₂	1324	1247	23.66	1.00	0.75	0.86
20	B₂	1169	1101	0.00	5.99	0.75	0.86
21	B₂	961	906	1.01	4.61	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	1.163
C2	1.095	0.348
C3	-1.095	0.348
C4	0.713	-0.962
C5	-0.713	-0.962
H6	2.050	0.851
H7	-2.050	0.851
H8	1.371	-1.820
H9	-1.371	-1.820

	O1	C2	C3	C4	C5	H6	H7	H8	H9
O1		1.3650	1.3650	2.2421	2.2421	2.0736	2.0736	3.2832	3.2832
C2	1.3650		2.1893	1.3646	2.2328	1.0794	3.1844	2.1853	3.2833
C3	1.3650	2.1893		2.2328	1.3646	3.1844	1.0794	3.2833	2.1853
C4	2.2421	1.3646	2.2328		1.4265	2.2523	3.3048	1.0809	2.2541
C5	2.2421	2.2328	1.3646	1.4265		3.3048	2.2523	2.2541	1.0809
H6	2.0736	1.0794	3.1844	2.2523	3.3048		4.0997	2.7552	4.3400
H7	2.0736	3.1844	1.0794	3.3048	2.2523	4.0997		4.3400	2.7552
H8	3.2832	2.1853	3.2833	1.0809	2.2541	2.7552	4.3400		2.7427
H9	3.2832	3.2833	2.1853	2.2541	1.0809	4.3400	2.7552	2.7427

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	110.792	O1	C2	H6	116.153
O1	C3	C5	110.792	O1	C3	H7	116.153
C2	O1	C3	107.170	C2	C4	C5	105.623
C2	C4	H8	126.742	C3	C5	C4	105.623
C3	C5	H9	126.742	C4	C2	H6	133.055
C4	C5	H9	127.635	C5	C3	H7	133.055
C5	C4	H8	127.635

All results from a given calculation for C₄H₄O (Furan)

using model chemistry: G3

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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All results from a given calculation for C4H4O (Furan)

using model chemistry: G3

States and conformations

All results from a given calculation for C₄H₄O (Furan)