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	hartrees
Energy at 0K	-42.087494
Energy at 298.15K	-42.094650
Nuclear repulsion energy	92.171060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3206	3124	17.57
2	A₁	2981	2905	12.21
3	A₁	1649	1607	0.07
4	A₁	1535	1496	1.62
5	A₁	1369	1334	1.35
6	A₁	1122	1094	1.48
7	A₁	978	953	8.57
8	A₁	848	827	15.14
9	A₁	729	711	6.63
10	A₂	3018	2941	0.00
11	A₂	1185	1155	0.00
12	A₂	1060	1033	0.00
13	A₂	964	939	0.00
14	A₂	388	378	0.00
15	B₁	3022	2945	123.20
16	B₁	1143	1114	9.52
17	B₁	1024	998	16.72
18	B₁	696	678	50.49
19	B₁	123	120	14.32
20	B₂	3175	3094	5.56
21	B₂	2976	2900	158.33
22	B₂	1524	1486	0.31
23	B₂	1355	1320	1.50
24	B₂	1324	1291	1.00
25	B₂	1056	1029	80.91
26	B₂	915	892	0.91
27	B₂	794	774	3.68

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.222
C2	0.000	1.212	0.367
C3	0.000	0.676	-1.060
C4	0.000	-0.676	-1.060
C5	0.000	-1.212	0.367
H6	0.893	1.812	0.600
H7	-0.893	1.812	0.600
H8	-0.893	-1.812	0.600
H9	0.893	-1.812	0.600
H10	0.000	1.321	-1.933
H11	0.000	-1.321	-1.933

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4831	2.3801	2.3801	1.4831	2.1138	2.1138	2.1138	2.1138	3.4210	3.4210
C2	1.4831		1.5242	2.3660	2.4233	1.1009	1.1009	3.1611	3.1611	2.3028	3.4214
C3	2.3801	1.5242		1.3514	2.3660	2.2004	2.2004	3.1206	3.1206	1.0860	2.1795
C4	2.3801	2.3660	1.3514		1.5242	3.1206	3.1206	2.2004	2.2004	2.1795	1.0860
C5	1.4831	2.4233	2.3660	1.5242		3.1611	3.1611	1.1009	1.1009	3.4214	2.3028
H6	2.1138	1.1009	2.2004	3.1206	3.1611		1.7865	4.0399	3.6234	2.7300	4.1264
H7	2.1138	1.1009	2.2004	3.1206	3.1611	1.7865		3.6234	4.0399	2.7300	4.1264
H8	2.1138	3.1611	3.1206	2.2004	1.1009	4.0399	3.6234		1.7865	4.1264	2.7300
H9	2.1138	3.1611	3.1206	2.2004	1.1009	3.6234	4.0399	1.7865		4.1264	2.7300
H10	3.4210	2.3028	1.0860	2.1795	3.4214	2.7300	2.7300	4.1264	4.1264		2.6423
H11	3.4210	3.4214	2.1795	1.0860	2.3028	4.1264	4.1264	2.7300	2.7300	2.6423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.633	O1	C2	H6	108.875
O1	C2	H7	108.875	O1	C5	C4	104.633
O1	C5	H8	108.875	O1	C5	H9	108.875
C2	O1	C5	109.559	C2	C3	C4	110.588
C2	C3	H10	122.946	C3	C2	H6	112.914
C3	C2	H7	112.914	C3	C4	C5	110.588
C3	C4	H11	126.466	C4	C3	H10	126.466
C4	C5	H8	112.914	C4	C5	H9	112.914
C5	C4	H11	122.946	H6	C2	H7	108.460
H8	C5	H9	108.460

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

using model chemistry: B3LYP/CEP-121G

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	-0.284
2	C	-0.230
3	C	-0.087
4	C	-0.087
5	C	-0.230
6	H	0.146
7	H	0.146
8	H	0.146
9	H	0.146
10	H	0.166
11	H	0.166

<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-121G

States and conformations

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