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	hartrees
Energy at 0K	-231.235610
Energy at 298.15K	-231.242738
Nuclear repulsion energy	173.568452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3236	3120	8.47
2	A₁	2996	2888	5.98
3	A₁	1689	1628	0.29
4	A₁	1527	1472	1.86
5	A₁	1392	1342	5.97
6	A₁	1120	1080	1.29
7	A₁	990	955	8.01
8	A₁	904	871	24.96
9	A₁	751	724	6.48
10	A₂	3012	2905	0.00
11	A₂	1220	1176	0.00
12	A₂	1059	1021	0.00
13	A₂	948	914	0.00
14	A₂	394	380	0.00
15	B₁	3014	2906	89.78
16	B₁	1175	1133	2.97
17	B₁	1027	991	19.94
18	B₁	676	651	43.34
19	B₁	102	99	10.65
20	B₂	3213	3098	3.31
21	B₂	2991	2883	152.05
22	B₂	1517	1463	1.27
23	B₂	1376	1326	3.28
24	B₂	1330	1282	0.10
25	B₂	1109	1069	102.04
26	B₂	920	888	0.04
27	B₂	807	779	3.05

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.191
C2	0.000	1.178	0.370
C3	0.000	0.667	-1.045
C4	0.000	-0.667	-1.045
C5	0.000	-1.178	0.370
H6	0.889	1.785	0.601
H7	-0.889	1.785	0.601
H8	-0.889	-1.785	0.601
H9	0.889	-1.785	0.601
H10	0.000	1.316	-1.914
H11	0.000	-1.316	-1.914

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4357	2.3331	2.3331	1.4357	2.0795	2.0795	2.0795	2.0795	3.3718	3.3718
C2	1.4357		1.5045	2.3250	2.3560	1.1009	1.1009	3.1023	3.1023	2.2876	3.3817
C3	2.3331	1.5045		1.3336	2.3250	2.1797	2.1797	3.0843	3.0843	1.0845	2.1650
C4	2.3331	2.3250	1.3336		1.5045	3.0843	3.0843	2.1797	2.1797	2.1650	1.0845
C5	1.4357	2.3560	2.3250	1.5045		3.1023	3.1023	1.1009	1.1009	3.3817	2.2876
H6	2.0795	1.1009	2.1797	3.0843	3.1023		1.7772	3.9885	3.5707	2.7081	4.0907
H7	2.0795	1.1009	2.1797	3.0843	3.1023	1.7772		3.5707	3.9885	2.7081	4.0907
H8	2.0795	3.1023	3.0843	2.1797	1.1009	3.9885	3.5707		1.7772	4.0907	2.7081
H9	2.0795	3.1023	3.0843	2.1797	1.1009	3.5707	3.9885	1.7772		4.0907	2.7081
H10	3.3718	2.2876	1.0845	2.1650	3.3817	2.7081	2.7081	4.0907	4.0907		2.6326
H11	3.3718	3.3817	2.1650	1.0845	2.2876	4.0907	4.0907	2.7081	2.7081	2.6326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.004	O1	C2	H6	109.421
O1	C2	H7	109.421	O1	C5	C4	105.004
O1	C5	H8	109.421	O1	C5	H9	109.421
C2	O1	C5	110.266	C2	C3	C4	109.863
C2	C3	H10	123.346	C3	C2	H6	112.649
C3	C2	H7	112.649	C3	C4	C5	109.863
C3	C4	H11	126.791	C4	C3	H10	126.791
C4	C5	H8	112.649	C4	C5	H9	112.649
C5	C4	H11	123.346	H6	C2	H7	107.639
H8	C5	H9	107.639

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

using model chemistry: B3LYP/6-31+G**

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	-0.369
2	C	-0.208
3	C	-0.017
4	C	-0.017
5	C	-0.208
6	H	0.138
7	H	0.138
8	H	0.138
9	H	0.138
10	H	0.134
11	H	0.134

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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