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	hartrees
Energy at 0K	-229.839292
Energy at 298.15K	-229.846539
HF Energy	-229.839292
Nuclear repulsion energy	171.996277

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3301	3126	2.46
2	A₁	3078	2915	6.80
3	A₁	1708	1618	0.90
4	A₁	1589	1505	0.27
5	A₁	1391	1318	0.05
6	A₁	1163	1101	1.92
7	A₁	982	930	6.40
8	A₁	902	854	11.68
9	A₁	749	709	6.67
10	A₂	3103	2939	0.00
11	A₂	1236	1171	0.00
12	A₂	1096	1038	0.00
13	A₂	1018	964	0.00
14	A₂	388	368	0.00
15	B₁	3108	2943	66.02
16	B₁	1195	1132	7.79
17	B₁	1042	987	18.27
18	B₁	736	697	44.05
19	B₁	141	134	12.39
20	B₂	3275	3102	0.04
21	B₂	3073	2911	76.81
22	B₂	1574	1491	1.15
23	B₂	1382	1309	3.50
24	B₂	1347	1276	0.34
25	B₂	1117	1058	73.35
26	B₂	916	868	0.01
27	B₂	826	783	0.90

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.218
C2	0.000	1.196	0.369
C3	0.000	0.664	-1.054
C4	0.000	-0.664	-1.054
C5	0.000	-1.196	0.369
H6	0.892	1.797	0.581
H7	-0.892	1.797	0.581
H8	-0.892	-1.797	0.581
H9	0.892	-1.797	0.581
H10	0.000	1.311	-1.920
H11	0.000	-1.311	-1.920

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4665	2.3667	2.3667	1.4665	2.1051	2.1051	2.1051	2.1051	3.4003	3.4003
C2	1.4665		1.5189	2.3420	2.3918	1.0964	1.0964	3.1305	3.1305	2.2916	3.3945
C3	2.3667	1.5189		1.3285	2.3420	2.1798	2.1798	3.0867	3.0867	1.0807	2.1567
C4	2.3667	2.3420	1.3285		1.5189	3.0867	3.0867	2.1798	2.1798	2.1567	1.0807
C5	1.4665	2.3918	2.3420	1.5189		3.1305	3.1305	1.0964	1.0964	3.3945	2.2916
H6	2.1051	1.0964	2.1798	3.0867	3.1305		1.7836	4.0130	3.5948	2.6990	4.0878
H7	2.1051	1.0964	2.1798	3.0867	3.1305	1.7836		3.5948	4.0130	2.6990	4.0878
H8	2.1051	3.1305	3.0867	2.1798	1.0964	4.0130	3.5948		1.7836	4.0878	2.6990
H9	2.1051	3.1305	3.0867	2.1798	1.0964	3.5948	4.0130	1.7836		4.0878	2.6990
H10	3.4003	2.2916	1.0807	2.1567	3.3945	2.6990	2.6990	4.0878	4.0878		2.6220
H11	3.4003	3.3945	2.1567	1.0807	2.2916	4.0878	4.0878	2.6990	2.6990	2.6220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	104.874	O1	C2	H6	109.607
O1	C2	H7	109.607	O1	C5	C4	104.874
O1	C5	H8	109.607	O1	C5	H9	109.607
C2	O1	C5	109.275	C2	C3	C4	110.488
C2	C3	H10	122.755	C3	C2	H6	111.905
C3	C2	H7	111.905	C3	C4	C5	110.488
C3	C4	H11	126.757	C4	C3	H10	126.757
C4	C5	H8	111.905	C4	C5	H9	111.905
C5	C4	H11	122.755	H6	C2	H7	108.864
H8	C5	H9	108.864

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

using model chemistry: M06-2X/3-21G*

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	-0.514
2	C	-0.147
3	C	-0.235
4	C	-0.235
5	C	-0.147
6	H	0.212
7	H	0.212
8	H	0.212
9	H	0.212
10	H	0.215
11	H	0.215

<r²>	96.059
(<r²>)^1/2	9.801

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

using model chemistry: M06-2X/3-21G*

States and conformations

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