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	hartrees
Energy at 0K	-42.138106
Energy at 298.15K	-42.145145
Nuclear repulsion energy	92.853511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3113	11.77
2	A₁	3001	2898	10.19
3	A₁	1693	1634	0.29
4	A₁	1524	1471	1.38
5	A₁	1394	1346	7.71
6	A₁	1097	1060	1.14
7	A₁	986	952	9.94
8	A₁	906	875	23.48
9	A₁	736	711	5.45
10	A₂	3020	2917	0.00
11	A₂	1208	1166	0.00
12	A₂	1038	1003	0.00
13	A₂	940	908	0.00
14	A₂	363	351	0.00
15	B₁	3025	2921	142.09
16	B₁	1163	1123	6.20
17	B₁	1014	979	23.28
18	B₁	678	655	57.36
19	B₁	99	95	13.09
20	B₂	3192	3082	4.44
21	B₂	2995	2892	183.45
22	B₂	1511	1459	1.34
23	B₂	1365	1319	2.14
24	B₂	1305	1260	0.02
25	B₂	1113	1075	99.33
26	B₂	912	880	0.19
27	B₂	789	762	0.91

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.202
C2	0.000	1.183	0.378
C3	0.000	0.678	-1.060
C4	0.000	-0.678	-1.060
C5	0.000	-1.183	0.378
H6	0.896	1.796	0.608
H7	-0.896	1.796	0.608
H8	-0.896	-1.796	0.608
H9	0.896	-1.796	0.608
H10	0.000	1.334	-1.933
H11	0.000	-1.334	-1.933

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4421	2.3610	2.3610	1.4421	2.0932	2.0932	2.0932	2.0932	3.4071	3.4071
C2	1.4421		1.5237	2.3521	2.3670	1.1096	1.1096	3.1199	3.1199	2.3158	3.4176
C3	2.3610	1.5237		1.3565	2.3521	2.1986	2.1986	3.1156	3.1156	1.0924	2.1941
C4	2.3610	2.3521	1.3565		1.5237	3.1156	3.1156	2.1986	2.1986	2.1941	1.0924
C5	1.4421	2.3670	2.3521	1.5237		3.1199	3.1199	1.1096	1.1096	3.4176	2.3158
H6	2.0932	1.1096	2.1986	3.1156	3.1199		1.7919	4.0144	3.5923	2.7337	4.1305
H7	2.0932	1.1096	2.1986	3.1156	3.1199	1.7919		3.5923	4.0144	2.7337	4.1305
H8	2.0932	3.1199	3.1156	2.1986	1.1096	4.0144	3.5923		1.7919	4.1305	2.7337
H9	2.0932	3.1199	3.1156	2.1986	1.1096	3.5923	4.0144	1.7919		4.1305	2.7337
H10	3.4071	2.3158	1.0924	2.1941	3.4176	2.7337	2.7337	4.1305	4.1305		2.6690
H11	3.4071	3.4176	2.1941	1.0924	2.3158	4.1305	4.1305	2.7337	2.7337	2.6690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.483	O1	C2	H6	109.545
O1	C2	H7	109.545	O1	C5	C4	105.483
O1	C5	H8	109.545	O1	C5	H9	109.545
C2	O1	C5	110.305	C2	C3	C4	109.365
C2	C3	H10	123.716	C3	C2	H6	112.267
C3	C2	H7	112.267	C3	C4	C5	109.365
C3	C4	H11	126.920	C4	C3	H10	126.920
C4	C5	H8	112.267	C4	C5	H9	112.267
C5	C4	H11	123.716	H6	C2	H7	107.701
H8	C5	H9	107.701

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

using model chemistry: B3LYP/CEP-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	-0.219
2	C	-0.217
3	C	-0.271
4	C	-0.271
5	C	-0.217
6	H	0.148
7	H	0.148
8	H	0.148
9	H	0.148
10	H	0.301
11	H	0.301

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-31G*

States and conformations

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