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	hartrees
Energy at 0K	-226.928295
Energy at 298.15K	-226.935547
Nuclear repulsion energy	173.067443

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3772	3080	2.08
2	A₁	3544	2894	0.34
3	A₁	2046	1671	0.56
4	A₁	1836	1499	0.00
5	A₁	1657	1353	4.21
6	A₁	1292	1055	0.02
7	A₁	1164	950	1.37
8	A₁	1099	898	0.16
9	A₁	847	692	1.19
10	A₂	3643	2974	0.00
11	A₂	1399	1142	0.00
12	A₂	1220	996	0.00
13	A₂	1150	939	0.00
14	A₂	441	360	0.00
15	B₁	3646	2977	11.58
16	B₁	1374	1122	0.46
17	B₁	1183	966	17.44
18	B₁	819	669	11.05
19	B₁	85	69	7.23
20	B₂	3732	3047	32.58
21	B₂	3540	2891	15.56
22	B₂	1826	1491	8.66
23	B₂	1617	1320	1.44
24	B₂	1544	1261	1.25
25	B₂	1426	1165	27.11
26	B₂	1090	890	0.01
27	B₂	923	754	0.00

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.222
C2	0.000	1.169	0.372
C3	0.000	0.653	-1.062
C4	0.000	-0.653	-1.062
C5	0.000	-1.169	0.372
H6	0.885	1.784	0.585
H7	-0.885	1.784	0.585
H8	-0.885	-1.784	0.585
H9	0.885	-1.784	0.585
H10	0.000	1.318	-1.914
H11	0.000	-1.318	-1.914

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4455	2.3754	2.3754	1.4455	2.0907	2.0907	2.0907	2.0907	3.4012	3.4012
C2	1.4455		1.5242	2.3185	2.3384	1.0982	1.0982	3.0903	3.0903	2.2904	3.3778
C3	2.3754	1.5242		1.3053	2.3185	2.1853	2.1853	3.0713	3.0713	1.0807	2.1467
C4	2.3754	2.3185	1.3053		1.5242	3.0713	3.0713	2.1853	2.1853	2.1467	1.0807
C5	1.4455	2.3384	2.3185	1.5242		3.0903	3.0903	1.0982	1.0982	3.3778	2.2904
H6	2.0907	1.0982	2.1853	3.0713	3.0903		1.7692	3.9827	3.5681	2.6913	4.0803
H7	2.0907	1.0982	2.1853	3.0713	3.0903	1.7692		3.5681	3.9827	2.6913	4.0803
H8	2.0907	3.0903	3.0713	2.1853	1.0982	3.9827	3.5681		1.7692	4.0803	2.6913
H9	2.0907	3.0903	3.0713	2.1853	1.0982	3.5681	3.9827	1.7692		4.0803	2.6913
H10	3.4012	2.2904	1.0807	2.1467	3.3778	2.6913	2.6913	4.0803	4.0803		2.6360
H11	3.4012	3.3778	2.1467	1.0807	2.2904	4.0803	4.0803	2.6913	2.6913	2.6360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	106.205	O1	C2	H6	109.801
O1	C2	H7	109.801	O1	C5	C4	106.205
O1	C5	H8	109.801	O1	C5	H9	109.801
C2	O1	C5	107.968	C2	C3	C4	109.810
C2	C3	H10	122.186	C3	C2	H6	111.862
C3	C2	H7	111.862	C3	C4	C5	109.810
C3	C4	H11	128.004	C4	C3	H10	128.004
C4	C5	H8	111.862	C4	C5	H9	111.862
C5	C4	H11	122.186	H6	C2	H7	107.318
H8	C5	H9	107.318

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

using model chemistry: HF/STO-3G

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	-0.248
2	C	0.004
3	C	-0.073
4	C	-0.073
5	C	0.004
6	H	0.061
7	H	0.061
8	H	0.061
9	H	0.061
10	H	0.071
11	H	0.071

<r²>	94.181
(<r²>)^1/2	9.705

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

using model chemistry: HF/STO-3G

States and conformations

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