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	hartrees
Energy at 0K	-230.942715
Energy at 298.15K	-230.949776
Nuclear repulsion energy	173.453743

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3137	8.88
2	A₁	2892	2862	8.83
3	A₁	1643	1626	0.01
4	A₁	1475	1460	1.38
5	A₁	1346	1332	4.23
6	A₁	1083	1072	1.77
7	A₁	980	970	4.45
8	A₁	897	888	15.21
9	A₁	739	731	5.89
10	A₂	2899	2869	0.00
11	A₂	1185	1173	0.00
12	A₂	1018	1007	0.00
13	A₂	913	904	0.00
14	A₂	387	383	0.00
15	B₁	2901	2871	104.83
16	B₁	1128	1117	3.70
17	B₁	989	979	12.42
18	B₁	659	652	24.75
19	B₁	110	109	4.86
20	B₂	3145	3113	2.31
21	B₂	2883	2853	164.15
22	B₂	1460	1445	2.31
23	B₂	1326	1312	1.69
24	B₂	1277	1264	0.30
25	B₂	1085	1074	92.59
26	B₂	903	893	0.14
27	B₂	788	780	3.18

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.194
C2	0.000	1.170	0.370
C3	0.000	0.669	-1.046
C4	0.000	-0.669	-1.046
C5	0.000	-1.170	0.370
H6	0.892	1.795	0.598
H7	-0.892	1.795	0.598
H8	-0.892	-1.795	0.598
H9	0.892	-1.795	0.598
H10	0.000	1.328	-1.915
H11	0.000	-1.328	-1.915

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4308	2.3375	2.3375	1.4308	2.0907	2.0907	2.0907	2.0907	3.3805	3.3805
C2	1.4308		1.5028	2.3215	2.3407	1.1122	1.1122	3.1045	3.1045	2.2910	3.3862
C3	2.3375	1.5028		1.3377	2.3215	2.1831	2.1831	3.0931	3.0931	1.0907	2.1779
C4	2.3375	2.3215	1.3377		1.5028	3.0931	3.0931	2.1831	2.1831	2.1779	1.0907
C5	1.4308	2.3407	2.3215	1.5028		3.1045	3.1045	1.1122	1.1122	3.3862	2.2910
H6	2.0907	1.1122	2.1831	3.0931	3.1045		1.7839	4.0080	3.5891	2.7071	4.1064
H7	2.0907	1.1122	2.1831	3.0931	3.1045	1.7839		3.5891	4.0080	2.7071	4.1064
H8	2.0907	3.1045	3.0931	2.1831	1.1122	4.0080	3.5891		1.7839	4.1064	2.7071
H9	2.0907	3.1045	3.0931	2.1831	1.1122	3.5891	4.0080	1.7839		4.1064	2.7071
H10	3.3805	2.2910	1.0907	2.1779	3.3862	2.7071	2.7071	4.1064	4.1064		2.6563
H11	3.3805	3.3862	2.1779	1.0907	2.2910	4.1064	4.1064	2.7071	2.7071	2.6563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.627	O1	C2	H6	109.962
O1	C2	H7	109.962	O1	C5	C4	105.627
O1	C5	H8	109.962	O1	C5	H9	109.962
C2	O1	C5	109.758	C2	C3	C4	109.494
C2	C3	H10	123.316	C3	C2	H6	112.339
C3	C2	H7	112.339	C3	C4	C5	109.494
C3	C4	H11	127.190	C4	C3	H10	127.190
C4	C5	H8	112.339	C4	C5	H9	112.339
C5	C4	H11	123.316	H6	C2	H7	106.641
H8	C5	H9	106.641

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.226
2	C	-0.136
3	C	-0.088
4	C	-0.088
5	C	-0.136
6	H	0.114
7	H	0.114
8	H	0.114
9	H	0.114
10	H	0.110
11	H	0.110

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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