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	hartrees
Energy at 0K	-231.106628
Energy at 298.15K	-231.113809
HF Energy	-230.817226
Nuclear repulsion energy	174.386973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3113	7.26
2	A₁	3013	2891	7.70
3	A₁	1681	1613	0.01
4	A₁	1540	1478	1.10
5	A₁	1403	1346	3.74
6	A₁	1124	1078	1.18
7	A₁	999	959	8.34
8	A₁	915	878	19.13
9	A₁	756	725	6.97
10	A₂	3031	2908	0.00
11	A₂	1235	1185	0.00
12	A₂	1071	1027	0.00
13	A₂	959	920	0.00
14	A₂	399	383	0.00
15	B₁	3033	2910	88.08
16	B₁	1190	1141	2.57
17	B₁	1037	995	17.36
18	B₁	683	655	35.46
19	B₁	102	98	7.46
20	B₂	3221	3091	2.89
21	B₂	3009	2886	145.52
22	B₂	1529	1467	1.32
23	B₂	1382	1326	3.36
24	B₂	1340	1286	0.06
25	B₂	1117	1072	103.03
26	B₂	927	889	0.02
27	B₂	816	782	2.69

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.187
C2	0.000	1.171	0.369
C3	0.000	0.663	-1.041
C4	0.000	-0.663	-1.041
C5	0.000	-1.171	0.369
H6	0.883	1.778	0.594
H7	-0.883	1.778	0.594
H8	-0.883	-1.778	0.594
H9	0.883	-1.778	0.594
H10	0.000	1.309	-1.904
H11	0.000	-1.309	-1.904

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4279	2.3240	2.3240	1.4279	2.0719	2.0719	2.0719	2.0719	3.3568	3.3568
C2	1.4279		1.4981	2.3131	2.3412	1.0950	1.0950	3.0861	3.0861	2.2775	3.3641
C3	2.3240	1.4981		1.3267	2.3131	2.1662	2.1662	3.0675	3.0675	1.0784	2.1533
C4	2.3240	2.3131	1.3267		1.4981	3.0675	3.0675	2.1662	2.1662	2.1533	1.0784
C5	1.4279	2.3412	2.3131	1.4981		3.0861	3.0861	1.0950	1.0950	3.3641	2.2775
H6	2.0719	1.0950	2.1662	3.0675	3.0861		1.7661	3.9703	3.5558	2.6905	4.0680
H7	2.0719	1.0950	2.1662	3.0675	3.0861	1.7661		3.5558	3.9703	2.6905	4.0680
H8	2.0719	3.0861	3.0675	2.1662	1.0950	3.9703	3.5558		1.7661	4.0680	2.6905
H9	2.0719	3.0861	3.0675	2.1662	1.0950	3.5558	3.9703	1.7661		4.0680	2.6905
H10	3.3568	2.2775	1.0784	2.1533	3.3641	2.6905	2.6905	4.0680	4.0680		2.6183
H11	3.3568	3.3641	2.1533	1.0784	2.2775	4.0680	4.0680	2.6905	2.6905	2.6183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.143	O1	C2	H6	109.711
O1	C2	H7	109.711	O1	C5	C4	105.143
O1	C5	H8	109.711	O1	C5	H9	109.711
C2	O1	C5	110.130	C2	C3	C4	109.792
C2	C3	H10	123.421	C3	C2	H6	112.377
C3	C2	H7	112.377	C3	C4	C5	109.792
C3	C4	H11	126.788	C4	C3	H10	126.788
C4	C5	H8	112.377	C4	C5	H9	112.377
C5	C4	H11	123.421	H6	C2	H7	107.502
H8	C5	H9	107.502

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

using model chemistry: B2PLYP/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	-0.353
2	C	0.071
3	C	-0.189
4	C	-0.189
5	C	0.071
6	H	0.076
7	H	0.076
8	H	0.076
9	H	0.076
10	H	0.142
11	H	0.142

<r²>	94.148
(<r²>)^1/2	9.703

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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