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	hartrees
Energy at 0K	-231.247483
Energy at 298.15K	-231.254645
Nuclear repulsion energy	173.415843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3132	7.15
2	A₁	2989	2900	5.73
3	A₁	1682	1633	0.09
4	A₁	1506	1462	1.87
5	A₁	1375	1334	3.11
6	A₁	1105	1072	1.15
7	A₁	993	964	8.06
8	A₁	899	872	21.79
9	A₁	751	728	6.46
10	A₂	3007	2918	0.00
11	A₂	1210	1174	0.00
12	A₂	1051	1019	0.00
13	A₂	931	903	0.00
14	A₂	402	390	0.00
15	B₁	3008	2919	84.22
16	B₁	1165	1130	2.45
17	B₁	1018	988	16.43
18	B₁	667	647	40.76
19	B₁	116	112	8.55
20	B₂	3204	3109	2.99
21	B₂	2984	2895	157.98
22	B₂	1497	1453	0.42
23	B₂	1363	1322	4.25
24	B₂	1314	1275	0.86
25	B₂	1097	1064	99.85
26	B₂	918	891	0.13
27	B₂	804	781	2.83

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.192
C2	0.000	1.179	0.369
C3	0.000	0.667	-1.044
C4	0.000	-0.667	-1.044
C5	0.000	-1.179	0.369
H6	0.892	1.788	0.602
H7	-0.892	1.788	0.602
H8	-0.892	-1.788	0.602
H9	0.892	-1.788	0.602
H10	0.000	1.318	-1.918
H11	0.000	-1.318	-1.918

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4372	2.3335	2.3335	1.4372	2.0833	2.0833	2.0833	2.0833	3.3771	3.3771
C2	1.4372		1.5032	2.3251	2.3572	1.1048	1.1048	3.1065	3.1065	2.2911	3.3857
C3	2.3335	1.5032		1.3348	2.3251	2.1820	2.1820	3.0877	3.0877	1.0890	2.1690
C4	2.3335	2.3251	1.3348		1.5032	3.0877	3.0877	2.1820	2.1820	2.1690	1.0890
C5	1.4372	2.3572	2.3251	1.5032		3.1065	3.1065	1.1048	1.1048	3.3857	2.2911
H6	2.0833	1.1048	2.1820	3.0877	3.1065		1.7832	3.9960	3.5761	2.7136	4.0976
H7	2.0833	1.1048	2.1820	3.0877	3.1065	1.7832		3.5761	3.9960	2.7136	4.0976
H8	2.0833	3.1065	3.0877	2.1820	1.1048	3.9960	3.5761		1.7832	4.0976	2.7136
H9	2.0833	3.1065	3.0877	2.1820	1.1048	3.5761	3.9960	1.7832		4.0976	2.7136
H10	3.3771	2.2911	1.0890	2.1690	3.3857	2.7136	2.7136	4.0976	4.0976		2.6362
H11	3.3771	3.3857	2.1690	1.0890	2.2911	4.0976	4.0976	2.7136	2.7136	2.6362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.024	O1	C2	H6	109.385
O1	C2	H7	109.385	O1	C5	C4	105.024
O1	C5	H8	109.385	O1	C5	H9	109.385
C2	O1	C5	110.187	C2	C3	C4	109.882
C2	C3	H10	123.426	C3	C2	H6	112.681
C3	C2	H7	112.681	C3	C4	C5	109.882
C3	C4	H11	126.692	C4	C3	H10	126.692
C4	C5	H8	112.681	C4	C5	H9	112.681
C5	C4	H11	123.426	H6	C2	H7	107.621
H8	C5	H9	107.621

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	-0.605
2	C	1.244
3	C	0.308
4	C	0.308
5	C	1.244
6	H	-0.377
7	H	-0.377
8	H	-0.377
9	H	-0.377
10	H	-0.494
11	H	-0.494

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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