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	hartrees
Energy at 0K	-231.129603
Energy at 298.15K	-231.136758
Nuclear repulsion energy	174.328586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3255	3114	9.78
2	A₁	3003	2873	10.87
3	A₁	1716	1642	0.06
4	A₁	1555	1488	0.82
5	A₁	1415	1354	6.43
6	A₁	1128	1079	1.43
7	A₁	1007	964	7.19
8	A₁	938	898	18.45
9	A₁	760	727	7.18
10	A₂	3016	2886	0.00
11	A₂	1237	1183	0.00
12	A₂	1070	1023	0.00
13	A₂	950	909	0.00
14	A₂	390	373	0.00
15	B₁	3020	2889	121.57
16	B₁	1185	1134	3.45
17	B₁	1037	992	15.83
18	B₁	681	652	31.85
19	B₁	110	105	7.58
20	B₂	3231	3092	3.45
21	B₂	2995	2865	161.89
22	B₂	1541	1475	3.99
23	B₂	1389	1329	1.18
24	B₂	1337	1279	0.00
25	B₂	1153	1103	104.85
26	B₂	935	894	0.04
27	B₂	814	778	2.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.184
C2	0.000	1.167	0.371
C3	0.000	0.665	-1.042
C4	0.000	-0.665	-1.042
C5	0.000	-1.167	0.371
H6	0.887	1.782	0.599
H7	-0.887	1.782	0.599
H8	-0.887	-1.782	0.599
H9	0.887	-1.782	0.599
H10	0.000	1.318	-1.909
H11	0.000	-1.318	-1.909

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4223	2.3239	2.3239	1.4223	2.0743	2.0743	2.0743	2.0743	3.3624	3.3624
C2	1.4223		1.4997	2.3137	2.3335	1.1028	1.1028	3.0872	3.0872	2.2851	3.3723
C3	2.3239	1.4997		1.3303	2.3137	2.1741	2.1741	3.0768	3.0768	1.0851	2.1642
C4	2.3239	2.3137	1.3303		1.4997	3.0768	3.0768	2.1741	2.1741	2.1642	1.0851
C5	1.4223	2.3335	2.3137	1.4997		3.0872	3.0872	1.1028	1.1028	3.3723	2.2851
H6	2.0743	1.1028	2.1741	3.0768	3.0872		1.7733	3.9800	3.5631	2.7004	4.0845
H7	2.0743	1.1028	2.1741	3.0768	3.0872	1.7733		3.5631	3.9800	2.7004	4.0845
H8	2.0743	3.0872	3.0768	2.1741	1.1028	3.9800	3.5631		1.7733	4.0845	2.7004
H9	2.0743	3.0872	3.0768	2.1741	1.1028	3.5631	3.9800	1.7733		4.0845	2.7004
H10	3.3624	2.2851	1.0851	2.1642	3.3723	2.7004	2.7004	4.0845	4.0845		2.6357
H11	3.3624	3.3723	2.1642	1.0851	2.2851	4.0845	4.0845	2.7004	2.7004	2.6357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.338	O1	C2	H6	109.821
O1	C2	H7	109.821	O1	C5	C4	105.338
O1	C5	H8	109.821	O1	C5	H9	109.821
C2	O1	C5	110.241	C2	C3	C4	109.541
C2	C3	H10	123.478	C3	C2	H6	112.418
C3	C2	H7	112.418	C3	C4	C5	109.541
C3	C4	H11	126.981	C4	C3	H10	126.981
C4	C5	H8	112.418	C4	C5	H9	112.418
C5	C4	H11	123.478	H6	C2	H7	107.029
H8	C5	H9	107.029

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

using model chemistry: B3PW91/6-31G*

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	-0.497
2	C	-0.076
3	C	-0.172
4	C	-0.172
5	C	-0.076
6	H	0.163
7	H	0.163
8	H	0.163
9	H	0.163
10	H	0.170
11	H	0.170

<r²>	93.830
(<r²>)^1/2	9.687

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

using model chemistry: B3PW91/6-31G*

States and conformations

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