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	hartrees
Energy at 0K	-231.270471
Energy at 298.15K	-231.277625
Nuclear repulsion energy	173.988662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3215	3107	13.60
2	A₁	2985	2884	12.94
3	A₁	1691	1634	0.00
4	A₁	1543	1491	1.18
5	A₁	1401	1353	4.76
6	A₁	1123	1085	1.49
7	A₁	989	955	7.90
8	A₁	909	879	20.94
9	A₁	758	732	6.69
10	A₂	2994	2893	0.00
11	A₂	1232	1190	0.00
12	A₂	1067	1031	0.00
13	A₂	944	912	0.00
14	A₂	391	378	0.00
15	B₁	2996	2895	129.58
16	B₁	1184	1144	2.64
17	B₁	1034	999	18.72
18	B₁	676	653	38.35
19	B₁	112	108	7.69
20	B₂	3191	3084	6.63
21	B₂	2978	2878	172.27
22	B₂	1531	1479	1.68
23	B₂	1376	1330	1.75
24	B₂	1335	1290	0.10
25	B₂	1109	1072	103.48
26	B₂	917	886	0.04
27	B₂	815	787	3.67

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.190
C2	0.000	1.173	0.370
C3	0.000	0.664	-1.044
C4	0.000	-0.664	-1.044
C5	0.000	-1.173	0.370
H6	0.886	1.783	0.598
H7	-0.886	1.783	0.598
H8	-0.886	-1.783	0.598
H9	0.886	-1.783	0.598
H10	0.000	1.312	-1.912
H11	0.000	-1.312	-1.912

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4305	2.3302	2.3302	1.4305	2.0768	2.0768	2.0768	2.0768	3.3679	3.3679
C2	1.4305		1.5030	2.3177	2.3451	1.0997	1.0997	3.0938	3.0938	2.2867	3.3739
C3	2.3302	1.5030		1.3273	2.3177	2.1760	2.1760	3.0770	3.0770	1.0836	2.1581
C4	2.3302	2.3177	1.3273		1.5030	3.0770	3.0770	2.1760	2.1760	2.1581	1.0836
C5	1.4305	2.3451	2.3177	1.5030		3.0938	3.0938	1.0997	1.0997	3.3739	2.2867
H6	2.0768	1.0997	2.1760	3.0770	3.0938		1.7718	3.9818	3.5658	2.7035	4.0825
H7	2.0768	1.0997	2.1760	3.0770	3.0938	1.7718		3.5658	3.9818	2.7035	4.0825
H8	2.0768	3.0938	3.0770	2.1760	1.0997	3.9818	3.5658		1.7718	4.0825	2.7035
H9	2.0768	3.0938	3.0770	2.1760	1.0997	3.5658	3.9818	1.7718		4.0825	2.7035
H10	3.3679	2.2867	1.0836	2.1581	3.3739	2.7035	2.7035	4.0825	4.0825		2.6242
H11	3.3679	3.3739	2.1581	1.0836	2.2867	4.0825	4.0825	2.7035	2.7035	2.6242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.154	O1	C2	H6	109.641
O1	C2	H7	109.641	O1	C5	C4	105.154
O1	C5	H8	109.641	O1	C5	H9	109.641
C2	O1	C5	110.109	C2	C3	C4	109.791
C2	C3	H10	123.451	C3	C2	H6	112.524
C3	C2	H7	112.524	C3	C4	C5	109.791
C3	C4	H11	126.758	C4	C3	H10	126.758
C4	C5	H8	112.524	C4	C5	H9	112.524
C5	C4	H11	123.451	H6	C2	H7	107.333
H8	C5	H9	107.333

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

using model chemistry: B3LYP/6-311G*

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	-0.363
2	C	-0.188
3	C	-0.221
4	C	-0.221
5	C	-0.188
6	H	0.197
7	H	0.197
8	H	0.197
9	H	0.197
10	H	0.197
11	H	0.197

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-311G*

States and conformations

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