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	hartrees
Energy at 0K	-231.146622
Energy at 298.15K	-231.153757
Nuclear repulsion energy	174.132640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3251	3121	7.33
2	A₁	3004	2884	5.65
3	A₁	1700	1632	0.13
4	A₁	1523	1462	2.31
5	A₁	1394	1339	4.91
6	A₁	1119	1074	1.39
7	A₁	1002	962	8.24
8	A₁	925	888	24.43
9	A₁	755	725	6.58
10	A₂	3025	2904	0.00
11	A₂	1223	1175	0.00
12	A₂	1057	1015	0.00
13	A₂	948	910	0.00
14	A₂	393	377	0.00
15	B₁	3027	2906	85.57
16	B₁	1178	1131	3.05
17	B₁	1024	983	20.01
18	B₁	676	649	45.18
19	B₁	98	94	10.58
20	B₂	3227	3098	2.77
21	B₂	2999	2879	152.19
22	B₂	1512	1452	0.80
23	B₂	1379	1324	3.14
24	B₂	1325	1272	0.25
25	B₂	1137	1091	103.91
26	B₂	930	893	0.28
27	B₂	810	778	1.95

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.185
C2	0.000	1.171	0.370
C3	0.000	0.666	-1.042
C4	0.000	-0.666	-1.042
C5	0.000	-1.171	0.370
H6	0.888	1.781	0.600
H7	-0.888	1.781	0.600
H8	-0.888	-1.781	0.600
H9	0.888	-1.781	0.600
H10	0.000	1.316	-1.910
H11	0.000	-1.316	-1.910

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4271	2.3244	2.3244	1.4271	2.0740	2.0740	2.0740	2.0740	3.3635	3.3635
C2	1.4271		1.4995	2.3174	2.3429	1.1013	1.1013	3.0914	3.0914	2.2848	3.3745
C3	2.3244	1.4995		1.3324	2.3174	2.1741	2.1741	3.0777	3.0777	1.0847	2.1642
C4	2.3244	2.3174	1.3324		1.4995	3.0777	3.0777	2.1741	2.1741	2.1642	1.0847
C5	1.4271	2.3429	2.3174	1.4995		3.0914	3.0914	1.1013	1.1013	3.3745	2.2848
H6	2.0740	1.1013	2.1741	3.0777	3.0914		1.7762	3.9797	3.5613	2.7031	4.0842
H7	2.0740	1.1013	2.1741	3.0777	3.0914	1.7762		3.5613	3.9797	2.7031	4.0842
H8	2.0740	3.0914	3.0777	2.1741	1.1013	3.9797	3.5613		1.7762	4.0842	2.7031
H9	2.0740	3.0914	3.0777	2.1741	1.1013	3.5613	3.9797	1.7762		4.0842	2.7031
H10	3.3635	2.2848	1.0847	2.1642	3.3745	2.7031	2.7031	4.0842	4.0842		2.6322
H11	3.3635	3.3745	2.1642	1.0847	2.2848	4.0842	4.0842	2.7031	2.7031	2.6322

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.140	O1	C2	H6	109.552
O1	C2	H7	109.552	O1	C5	C4	105.140
O1	C5	H8	109.552	O1	C5	H9	109.552
C2	O1	C5	110.337	C2	C3	C4	109.691
C2	C3	H10	123.500	C3	C2	H6	112.533
C3	C2	H7	112.533	C3	C4	C5	109.691
C3	C4	H11	126.809	C4	C3	H10	126.809
C4	C5	H8	112.533	C4	C5	H9	112.533
C5	C4	H11	123.500	H6	C2	H7	107.493
H8	C5	H9	107.493

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

using model chemistry: B3PW91/6-31+G**

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	-0.328
2	C	-0.262
3	C	-0.036
4	C	-0.036
5	C	-0.262
6	H	0.152
7	H	0.152
8	H	0.152
9	H	0.152
10	H	0.158
11	H	0.158

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3PW91/6-31+G**

States and conformations

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