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	hartrees
Energy at 0K	-42.074020
Energy at 298.15K	-42.081116
Nuclear repulsion energy	91.801205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3241	3138	17.28
2	A₁	3026	2931	10.31
3	A₁	1671	1618	0.09
4	A₁	1523	1475	1.60
5	A₁	1367	1324	0.35
6	A₁	1115	1080	1.73
7	A₁	985	954	9.24
8	A₁	847	820	17.14
9	A₁	726	703	5.02
10	A₂	3063	2966	0.00
11	A₂	1176	1139	0.00
12	A₂	1051	1018	0.00
13	A₂	962	931	0.00
14	A₂	374	362	0.00
15	B₁	3069	2972	144.84
16	B₁	1135	1100	10.70
17	B₁	1016	984	18.77
18	B₁	697	675	72.18
19	B₁	128	124	19.88
20	B₂	3202	3101	4.57
21	B₂	3020	2925	174.20
22	B₂	1513	1466	0.00
23	B₂	1354	1311	2.84
24	B₂	1317	1275	0.47
25	B₂	1059	1026	74.84
26	B₂	918	889	0.32
27	B₂	786	762	0.70

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.226
C2	0.000	1.213	0.371
C3	0.000	0.682	-1.066
C4	0.000	-0.682	-1.066
C5	0.000	-1.213	0.371
H6	0.898	1.815	0.606
H7	-0.898	1.815	0.606
H8	-0.898	-1.815	0.606
H9	0.898	-1.815	0.606
H10	0.000	1.332	-1.943
H11	0.000	-1.332	-1.943

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4837	2.3913	2.3913	1.4837	2.1175	2.1175	2.1175	2.1175	3.4367	3.4367
C2	1.4837		1.5319	2.3783	2.4255	1.1065	1.1065	3.1667	3.1667	2.3164	3.4390
C3	2.3913	1.5319		1.3645	2.3783	2.2105	2.2105	3.1367	3.1367	1.0907	2.1964
C4	2.3913	2.3783	1.3645		1.5319	3.1367	3.1367	2.2105	2.2105	2.1964	1.0907
C5	1.4837	2.4255	2.3783	1.5319		3.1667	3.1667	1.1065	1.1065	3.4390	2.3164
H6	2.1175	1.1065	2.2105	3.1367	3.1667		1.7962	4.0497	3.6296	2.7451	4.1477
H7	2.1175	1.1065	2.2105	3.1367	3.1667	1.7962		3.6296	4.0497	2.7451	4.1477
H8	2.1175	3.1667	3.1367	2.2105	1.1065	4.0497	3.6296		1.7962	4.1477	2.7451
H9	2.1175	3.1667	3.1367	2.2105	1.1065	3.6296	4.0497	1.7962		4.1477	2.7451
H10	3.4367	2.3164	1.0907	2.1964	3.4390	2.7451	2.7451	4.1477	4.1477		2.6636
H11	3.4367	3.4390	2.1964	1.0907	2.3164	4.1477	4.1477	2.7451	2.7451	2.6636

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.917	O1	C2	H6	108.797
O1	C2	H7	108.797	O1	C5	C4	104.917
O1	C5	H8	108.797	O1	C5	H9	108.797
C2	O1	C5	109.644	C2	C3	C4	110.260
C2	C3	H10	123.191	C3	C2	H6	112.824
C3	C2	H7	112.824	C3	C4	C5	110.260
C3	C4	H11	126.549	C4	C3	H10	126.549
C4	C5	H8	112.824	C4	C5	H9	112.824
C5	C4	H11	123.191	H6	C2	H7	108.511
H8	C5	H9	108.511

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

using model chemistry: B3LYP/CEP-31G

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	-0.272
2	C	-0.232
3	C	-0.234
4	C	-0.234
5	C	-0.232
6	H	0.159
7	H	0.159
8	H	0.159
9	H	0.159
10	H	0.284
11	H	0.284

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-31G

States and conformations

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