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	hartrees
Energy at 0K	-229.848017
Energy at 298.15K	-229.855032
Nuclear repulsion energy	170.006444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3148	10.25
2	A₁	2919	2903	10.28
3	A₁	1627	1618	0.09
4	A₁	1543	1534	0.34
5	A₁	1331	1324	0.06
6	A₁	1123	1117	1.23
7	A₁	937	932	5.62
8	A₁	808	804	6.57
9	A₁	713	709	4.99
10	A₂	2926	2910	0.00
11	A₂	1171	1164	0.00
12	A₂	1045	1039	0.00
13	A₂	928	923	0.00
14	A₂	376	374	0.00
15	B₁	2931	2915	119.03
16	B₁	1124	1117	12.32
17	B₁	982	976	5.34
18	B₁	669	666	37.97
19	B₁	121	120	7.92
20	B₂	3138	3121	2.76
21	B₂	2910	2894	139.70
22	B₂	1528	1519	4.99
23	B₂	1332	1324	2.96
24	B₂	1287	1280	1.45
25	B₂	986	980	62.72
26	B₂	866	861	0.23
27	B₂	780	776	7.20

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.245
C2	0.000	1.209	0.365
C3	0.000	0.671	-1.064
C4	0.000	-0.671	-1.064
C5	0.000	-1.209	0.365
H6	0.898	1.822	0.574
H7	-0.898	1.822	0.574
H8	-0.898	-1.822	0.574
H9	0.898	-1.822	0.574
H10	0.000	1.323	-1.936
H11	0.000	-1.323	-1.936

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4950	2.4038	2.4038	1.4950	2.1395	2.1395	2.1395	2.1395	3.4446	3.4446
C2	1.4950		1.5263	2.3605	2.4170	1.1080	1.1080	3.1682	3.1682	2.3034	3.4205
C3	2.4038	1.5263		1.3415	2.3605	2.1946	2.1946	3.1154	3.1154	1.0889	2.1759
C4	2.4038	2.3605	1.3415		1.5263	3.1154	3.1154	2.1946	2.1946	2.1759	1.0889
C5	1.4950	2.4170	2.3605	1.5263		3.1682	3.1682	1.1080	1.1080	3.4205	2.3034
H6	2.1395	1.1080	2.1946	3.1154	3.1682		1.7964	4.0635	3.6449	2.7125	4.1231
H7	2.1395	1.1080	2.1946	3.1154	3.1682	1.7964		3.6449	4.0635	2.7125	4.1231
H8	2.1395	3.1682	3.1154	2.1946	1.1080	4.0635	3.6449		1.7964	4.1231	2.7125
H9	2.1395	3.1682	3.1154	2.1946	1.1080	3.6449	4.0635	1.7964		4.1231	2.7125
H10	3.4446	2.3034	1.0889	2.1759	3.4205	2.7125	2.7125	4.1231	4.1231		2.6455
H11	3.4446	3.4205	2.1759	1.0889	2.3034	4.1231	4.1231	2.7125	2.7125	2.6455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.429	O1	C2	H6	109.665
O1	C2	H7	109.665	O1	C5	C4	105.429
O1	C5	H8	109.665	O1	C5	H9	109.665
C2	O1	C5	107.879	C2	C3	C4	110.631
C2	C3	H10	122.589	C3	C2	H6	111.860
C3	C2	H7	111.860	C3	C4	C5	110.631
C3	C4	H11	126.780	C4	C3	H10	126.780
C4	C5	H8	111.860	C4	C5	H9	111.860
C5	C4	H11	122.589	H6	C2	H7	108.322
H8	C5	H9	108.322

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

using model chemistry: BLYP/3-21G

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	-0.429
2	C	-0.151
3	C	-0.173
4	C	-0.173
5	C	-0.151
6	H	0.185
7	H	0.185
8	H	0.185
9	H	0.185
10	H	0.169
11	H	0.169

<r²>	97.835
(<r²>)^1/2	9.891

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

using model chemistry: BLYP/3-21G

States and conformations

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