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	hartrees
Energy at 0K	-231.158588
Energy at 298.15K	-231.165666
HF Energy	-231.158588
Nuclear repulsion energy	173.624418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3172	3123	11.37
2	A₁	2920	2875	6.88
3	A₁	1642	1617	0.22
4	A₁	1486	1463	2.11
5	A₁	1354	1333	3.02
6	A₁	1091	1074	1.04
7	A₁	971	956	6.92
8	A₁	872	859	21.78
9	A₁	738	726	6.46
10	A₂	2928	2884	0.00
11	A₂	1196	1178	0.00
12	A₂	1034	1018	0.00
13	A₂	922	908	0.00
14	A₂	391	385	0.00
15	B₁	2930	2885	99.52
16	B₁	1149	1132	3.27
17	B₁	998	983	14.77
18	B₁	654	644	38.43
19	B₁	105	104	7.28
20	B₂	3148	3100	5.11
21	B₂	2914	2869	182.43
22	B₂	1476	1454	0.94
23	B₂	1338	1318	4.46
24	B₂	1300	1280	0.63
25	B₂	1055	1039	95.74
26	B₂	898	884	0.05
27	B₂	795	783	4.39

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.195
C2	0.000	1.176	0.367
C3	0.000	0.666	-1.044
C4	0.000	-0.666	-1.044
C5	0.000	-1.176	0.367
H6	0.889	1.787	0.596
H7	-0.889	1.787	0.596
H8	-0.889	-1.787	0.596
H9	0.889	-1.787	0.596
H10	0.000	1.314	-1.913
H11	0.000	-1.314	-1.913

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4382	2.3351	2.3351	1.4382	2.0833	2.0833	2.0833	2.0833	3.3736	3.3736
C2	1.4382		1.5005	2.3203	2.3527	1.1023	1.1023	3.1019	3.1019	2.2840	3.3764
C3	2.3351	1.5005		1.3313	2.3203	2.1762	2.1762	3.0810	3.0810	1.0842	2.1620
C4	2.3351	2.3203	1.3313		1.5005	3.0810	3.0810	2.1762	2.1762	2.1620	1.0842
C5	1.4382	2.3527	2.3203	1.5005		3.1019	3.1019	1.1023	1.1023	3.3764	2.2840
H6	2.0833	1.1023	2.1762	3.0810	3.1019		1.7780	3.9911	3.5732	2.7032	4.0863
H7	2.0833	1.1023	2.1762	3.0810	3.1019	1.7780		3.5732	3.9911	2.7032	4.0863
H8	2.0833	3.1019	3.0810	2.1762	1.1023	3.9911	3.5732		1.7780	4.0863	2.7032
H9	2.0833	3.1019	3.0810	2.1762	1.1023	3.5732	3.9911	1.7780		4.0863	2.7032
H10	3.3736	2.2840	1.0842	2.1620	3.3764	2.7032	2.7032	4.0863	4.0863		2.6282
H11	3.3736	3.3764	2.1620	1.0842	2.2840	4.0863	4.0863	2.7032	2.7032	2.6282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.220	O1	C2	H6	109.471
O1	C2	H7	109.471	O1	C5	C4	105.220
O1	C5	H8	109.471	O1	C5	H9	109.471
C2	O1	C5	109.761	C2	C3	C4	109.900
C2	C3	H10	123.367	C3	C2	H6	112.563
C3	C2	H7	112.563	C3	C4	C5	109.900
C3	C4	H11	126.733	C4	C3	H10	126.733
C4	C5	H8	112.563	C4	C5	H9	112.563
C5	C4	H11	123.367	H6	C2	H7	107.508
H8	C5	H9	107.508

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

using model chemistry: B97D3/aug-cc-pVTZ

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	-0.453
2	C	0.053
3	C	-0.426
4	C	-0.426
5	C	0.053
6	H	0.149
7	H	0.149
8	H	0.149
9	H	0.149
10	H	0.302
11	H	0.302

<r²>	94.927
(<r²>)^1/2	9.743

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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