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	hartrees
Energy at 0K	-231.078361
Energy at 298.15K	-231.072896
HF Energy	-231.234800
Nuclear repulsion energy	174.163301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3233	3120	9.45
2	A₁	2971	2867	10.13
3	A₁	1693	1634	0.02
4	A₁	1529	1476	0.83
5	A₁	1397	1348	6.32
6	A₁	1121	1082	1.36
7	A₁	993	958	6.20
8	A₁	919	887	16.17
9	A₁	758	731	6.35
10	A₂	2980	2876	0.00
11	A₂	1225	1182	0.00
12	A₂	1060	1023	0.00
13	A₂	958	924	0.00
14	A₂	400	386	0.00
15	B₁	2983	2878	107.30
16	B₁	1175	1134	2.23
17	B₁	1033	996	15.84
18	B₁	689	665	23.73
19	B₁	123	118	5.79
20	B₂	3208	3096	2.74
21	B₂	2963	2860	157.17
22	B₂	1516	1463	3.03
23	B₂	1371	1323	2.75
24	B₂	1329	1282	0.11
25	B₂	1120	1081	100.62
26	B₂	920	888	0.07
27	B₂	813	785	3.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
C2	0.000	1.169	0.371
C3	0.000	0.664	-1.044
C4	0.000	-0.664	-1.044
C5	0.000	-1.169	0.371
H6	0.886	1.785	0.598
H7	-0.886	1.785	0.598
H8	-0.886	-1.785	0.598
H9	0.886	-1.785	0.598
H10	0.000	1.318	-1.906
H11	0.000	-1.318	-1.906

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4252	2.3275	2.3275	1.4252	2.0774	2.0774	2.0774	2.0774	3.3622	3.3622
C2	1.4252		1.5030	2.3158	2.3380	1.1023	1.1023	3.0919	3.0919	2.2825	3.3727
C3	2.3275	1.5030		1.3276	2.3158	2.1768	2.1768	3.0785	3.0785	1.0825	2.1616
C4	2.3275	2.3158	1.3276		1.5030	3.0785	3.0785	2.1768	2.1768	2.1616	1.0825
C5	1.4252	2.3380	2.3158	1.5030		3.0919	3.0919	1.1023	1.1023	3.3727	2.2825
H6	2.0774	1.1023	2.1768	3.0785	3.0919		1.7714	3.9847	3.5693	2.6972	4.0849
H7	2.0774	1.1023	2.1768	3.0785	3.0919	1.7714		3.5693	3.9847	2.6972	4.0849
H8	2.0774	3.0919	3.0785	2.1768	1.1023	3.9847	3.5693		1.7714	4.0849	2.6972
H9	2.0774	3.0919	3.0785	2.1768	1.1023	3.5693	3.9847	1.7714		4.0849	2.6972
H10	3.3622	2.2825	1.0825	2.1616	3.3727	2.6972	2.6972	4.0849	4.0849		2.6369
H11	3.3622	3.3727	2.1616	1.0825	2.2825	4.0849	4.0849	2.6972	2.6972	2.6369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.140	O1	C2	H6	110.231
O1	C2	H7	110.231	O1	C5	C4	105.140
O1	C5	H8	110.231	O1	C5	H9	110.231
C2	O1	C5	110.595	C2	C3	C4	109.563
C2	C3	H10	123.247	C3	C2	H6	112.125
C3	C2	H7	112.125	C3	C4	C5	109.563
C3	C4	H11	127.190	C4	C3	H10	127.190
C4	C5	H8	112.125	C4	C5	H9	112.125
C5	C4	H11	123.247	H6	C2	H7	107.028
H8	C5	H9	107.028

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: G4

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	-0.261
2	C	-0.100
3	C	-0.081
4	C	-0.081
5	C	-0.100
6	H	0.104
7	H	0.104
8	H	0.104
9	H	0.104
10	H	0.104
11	H	0.104

<r²>	94.084
(<r²>)^1/2	9.700

All results from a given calculation for C4H6O (Furan, 2,5-dihydro-)

using model chemistry: G4

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)