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	hartrees
Energy at 0K	-230.938454
Energy at 298.15K	-230.945479
Nuclear repulsion energy	173.006667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3146	7.75
2	A₁	2888	2872	10.33
3	A₁	1648	1638	0.00
4	A₁	1448	1440	1.90
5	A₁	1335	1328	4.78
6	A₁	1069	1063	2.12
7	A₁	981	976	4.34
8	A₁	894	889	17.74
9	A₁	739	735	5.78
10	A₂	2896	2879	0.00
11	A₂	1174	1168	0.00
12	A₂	1007	1001	0.00
13	A₂	906	901	0.00
14	A₂	380	378	0.00
15	B₁	2898	2881	120.71
16	B₁	1116	1109	3.90
17	B₁	974	968	11.20
18	B₁	652	648	26.81
19	B₁	100	99	4.67
20	B₂	3140	3122	2.49
21	B₂	2878	2862	177.41
22	B₂	1433	1424	2.01
23	B₂	1320	1312	0.54
24	B₂	1260	1253	0.39
25	B₂	1084	1078	97.77
26	B₂	900	895	0.19
27	B₂	786	781	2.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.196
C2	0.000	1.172	0.371
C3	0.000	0.672	-1.047
C4	0.000	-0.672	-1.047
C5	0.000	-1.172	0.371
H6	0.897	1.801	0.598
H7	-0.897	1.801	0.598
H8	-0.897	-1.801	0.598
H9	0.897	-1.801	0.598
H10	0.000	1.330	-1.926
H11	0.000	-1.330	-1.926

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4337	2.3412	2.3412	1.4337	2.0994	2.0994	2.0994	2.0994	3.3937	3.3937
C2	1.4337		1.5030	2.3257	2.3445	1.1191	1.1191	3.1143	3.1143	2.3022	3.3964
C3	2.3412	1.5030		1.3434	2.3257	2.1876	2.1876	3.1026	3.1026	1.0985	2.1863
C4	2.3412	2.3257	1.3434		1.5030	3.1026	3.1026	2.1876	2.1876	2.1863	1.0985
C5	1.4337	2.3445	2.3257	1.5030		3.1143	3.1143	1.1191	1.1191	3.3964	2.3022
H6	2.0994	1.1191	2.1876	3.1026	3.1143		1.7942	4.0249	3.6028	2.7201	4.1208
H7	2.0994	1.1191	2.1876	3.1026	3.1143	1.7942		3.6028	4.0249	2.7201	4.1208
H8	2.0994	3.1143	3.1026	2.1876	1.1191	4.0249	3.6028		1.7942	4.1208	2.7201
H9	2.0994	3.1143	3.1026	2.1876	1.1191	3.6028	4.0249	1.7942		4.1208	2.7201
H10	3.3937	2.3022	1.0985	2.1863	3.3964	2.7201	2.7201	4.1208	4.1208		2.6596
H11	3.3937	3.3964	2.1863	1.0985	2.3022	4.1208	4.1208	2.7201	2.7201	2.6596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.701	O1	C2	H6	110.041
O1	C2	H7	110.041	O1	C5	C4	105.701
O1	C5	H8	110.041	O1	C5	H9	110.041
C2	O1	C5	109.694	C2	C3	C4	109.452
C2	C3	H10	123.746	C3	C2	H6	112.259
C3	C2	H7	112.259	C3	C4	C5	109.452
C3	C4	H11	126.803	C4	C3	H10	126.803
C4	C5	H8	112.259	C4	C5	H9	112.259
C5	C4	H11	123.746	H6	C2	H7	106.576
H8	C5	H9	106.576

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.304
2	C	0.162
3	C	-0.066
4	C	-0.066
5	C	0.162
6	H	0.033
7	H	0.033
8	H	0.033
9	H	0.033
10	H	-0.010
11	H	-0.010

<r²>	95.277
(<r²>)^1/2	9.761

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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