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	hartrees
Energy at 0K	-231.185025
Energy at 298.15K	-231.192189
Nuclear repulsion energy	171.184763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3136	13.73
2	A₁	3035	2917	8.14
3	A₁	1677	1612	0.01
4	A₁	1536	1476	2.56
5	A₁	1373	1320	0.02
6	A₁	1129	1086	2.46
7	A₁	994	956	8.81
8	A₁	850	817	16.48
9	A₁	738	710	6.28
10	A₂	3071	2952	0.00
11	A₂	1190	1144	0.00
12	A₂	1066	1025	0.00
13	A₂	971	934	0.00
14	A₂	398	383	0.00
15	B₁	3076	2957	106.17
16	B₁	1146	1102	7.76
17	B₁	1027	987	13.96
18	B₁	702	675	66.33
19	B₁	138	132	17.56
20	B₂	3229	3104	3.31
21	B₂	3029	2912	149.15
22	B₂	1527	1468	0.34
23	B₂	1364	1311	3.60
24	B₂	1330	1279	0.64
25	B₂	1068	1027	76.18
26	B₂	925	889	0.33
27	B₂	801	770	1.40

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.218
C2	0.000	1.205	0.366
C3	0.000	0.674	-1.055
C4	0.000	-0.674	-1.055
C5	0.000	-1.205	0.366
H6	0.893	1.806	0.595
H7	-0.893	1.806	0.595
H8	-0.893	-1.806	0.595
H9	0.893	-1.806	0.595
H10	0.000	1.319	-1.927
H11	0.000	-1.319	-1.927

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4763	2.3708	2.3708	1.4763	2.1089	2.1089	2.1089	2.1089	3.4104	3.4104
C2	1.4763		1.5169	2.3556	2.4107	1.1003	1.1003	3.1494	3.1494	2.2953	3.4101
C3	2.3708	1.5169		1.3472	2.3556	2.1915	2.1915	3.1095	3.1095	1.0848	2.1752
C4	2.3708	2.3556	1.3472		1.5169	3.1095	3.1095	2.1915	2.1915	2.1752	1.0848
C5	1.4763	2.4107	2.3556	1.5169		3.1494	3.1494	1.1003	1.1003	3.4101	2.2953
H6	2.1089	1.1003	2.1915	3.1095	3.1494		1.7854	4.0295	3.6124	2.7192	4.1140
H7	2.1089	1.1003	2.1915	3.1095	3.1494	1.7854		3.6124	4.0295	2.7192	4.1140
H8	2.1089	3.1494	3.1095	2.1915	1.1003	4.0295	3.6124		1.7854	4.1140	2.7192
H9	2.1089	3.1494	3.1095	2.1915	1.1003	3.6124	4.0295	1.7854		4.1140	2.7192
H10	3.4104	2.2953	1.0848	2.1752	3.4101	2.7192	2.7192	4.1140	4.1140		2.6385
H11	3.4104	3.4101	2.1752	1.0848	2.2953	4.1140	4.1140	2.7192	2.7192	2.6385

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.749	O1	C2	H6	108.996
O1	C2	H7	108.996	O1	C5	C4	104.749
O1	C5	H8	108.996	O1	C5	H9	108.996
C2	O1	C5	109.464	C2	C3	C4	110.519
C2	C3	H10	122.956	C3	C2	H6	112.748
C3	C2	H7	112.748	C3	C4	C5	110.519
C3	C4	H11	126.524	C4	C3	H10	126.524
C4	C5	H8	112.748	C4	C5	H9	112.748
C5	C4	H11	122.956	H6	C2	H7	108.457
H8	C5	H9	108.457

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

using model chemistry: B3LYP/SDD

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	-0.322
2	C	-0.251
3	C	-0.217
4	C	-0.217
5	C	-0.251
6	H	0.198
7	H	0.198
8	H	0.198
9	H	0.198
10	H	0.233
11	H	0.233

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/SDD

States and conformations

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