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	hartrees
Energy at 0K	-229.868810
Energy at 298.15K	-229.876283
Nuclear repulsion energy	175.966590

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3368	3060	8.04
2	A₁	3149	2861	9.74
3	A₁	1824	1657	0.06
4	A₁	1658	1507	1.14
5	A₁	1536	1395	8.64
6	A₁	1210	1100	0.57
7	A₁	1052	956	22.32
8	A₁	1012	919	17.01
9	A₁	811	737	7.79
10	A₂	3163	2874	0.00
11	A₂	1335	1213	0.00
12	A₂	1167	1061	0.00
13	A₂	1065	968	0.00
14	A₂	430	391	0.00
15	B₁	3166	2877	99.62
16	B₁	1304	1185	0.51
17	B₁	1135	1031	30.28
18	B₁	756	687	42.68
19	B₁	134	122	10.92
20	B₂	3342	3036	5.29
21	B₂	3144	2856	170.32
22	B₂	1648	1497	1.53
23	B₂	1503	1366	8.85
24	B₂	1452	1319	1.14
25	B₂	1257	1143	136.95
26	B₂	980	890	0.16
27	B₂	877	797	1.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.166
C2	0.000	1.160	0.376
C3	0.000	0.655	-1.038
C4	0.000	-0.655	-1.038
C5	0.000	-1.160	0.376
H6	0.877	1.760	0.602
H7	-0.877	1.760	0.602
H8	-0.877	-1.760	0.602
H9	0.877	-1.760	0.602
H10	0.000	1.300	-1.894
H11	0.000	-1.300	-1.894

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4036	2.2986	2.2986	1.4036	2.0457	2.0457	2.0457	2.0457	3.3244	3.3244
C2	1.4036		1.5010	2.3010	2.3206	1.0864	1.0864	3.0574	3.0574	2.2742	3.3474
C3	2.2986	1.5010		1.3107	2.3010	2.1626	2.1626	3.0479	3.0479	1.0719	2.1346
C4	2.2986	2.3010	1.3107		1.5010	3.0479	3.0479	2.1626	2.1626	2.1346	1.0719
C5	1.4036	2.3206	2.3010	1.5010		3.0574	3.0574	1.0864	1.0864	3.3474	2.2742
H6	2.0457	1.0864	2.1626	3.0479	3.0574		1.7548	3.9328	3.5196	2.6851	4.0448
H7	2.0457	1.0864	2.1626	3.0479	3.0574	1.7548		3.5196	3.9328	2.6851	4.0448
H8	2.0457	3.0574	3.0479	2.1626	1.0864	3.9328	3.5196		1.7548	4.0448	2.6851
H9	2.0457	3.0574	3.0479	2.1626	1.0864	3.5196	3.9328	1.7548		4.0448	2.6851
H10	3.3244	2.2742	1.0719	2.1346	3.3474	2.6851	2.6851	4.0448	4.0448		2.5998
H11	3.3244	3.3474	2.1346	1.0719	2.2742	4.0448	4.0448	2.6851	2.6851	2.5998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.580	O1	C2	H6	109.832
O1	C2	H7	109.832	O1	C5	C4	104.580
O1	C5	H8	109.832	O1	C5	H9	109.832
C2	O1	C5	111.520	C2	C3	C4	109.660
C2	C3	H10	123.377	C3	C2	H6	112.417
C3	C2	H7	112.417	C3	C4	C5	109.660
C3	C4	H11	126.963	C4	C3	H10	126.963
C4	C5	H8	112.417	C4	C5	H9	112.417
C5	C4	H11	123.377	H6	C2	H7	107.735
H8	C5	H9	107.735

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

using model chemistry: HF/6-311+G(3df,2p)

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	-0.972
2	C	0.220
3	C	-0.105
4	C	-0.105
5	C	0.220
6	H	0.115
7	H	0.115
8	H	0.115
9	H	0.115
10	H	0.140
11	H	0.140

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

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