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	hartrees
Energy at 0K	-231.159678
Energy at 298.15K	-231.166855
Nuclear repulsion energy	174.651735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3276	3107	8.76
2	A₁	3026	2869	10.61
3	A₁	1731	1641	0.08
4	A₁	1564	1483	0.85
5	A₁	1426	1352	6.56
6	A₁	1135	1076	1.41
7	A₁	1015	963	7.84
8	A₁	951	901	18.57
9	A₁	765	726	7.30
10	A₂	3042	2885	0.00
11	A₂	1246	1181	0.00
12	A₂	1077	1021	0.00
13	A₂	959	910	0.00
14	A₂	392	372	0.00
15	B₁	3046	2888	116.62
16	B₁	1195	1134	3.19
17	B₁	1044	990	16.77
18	B₁	687	651	32.44
19	B₁	108	103	7.82
20	B₂	3252	3084	3.03
21	B₂	3018	2862	155.96
22	B₂	1551	1470	3.63
23	B₂	1399	1327	1.27
24	B₂	1345	1275	0.02
25	B₂	1171	1111	106.66
26	B₂	942	893	0.08
27	B₂	819	777	2.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.181
C2	0.000	1.164	0.371
C3	0.000	0.664	-1.041
C4	0.000	-0.664	-1.041
C5	0.000	-1.164	0.371
H6	0.885	1.778	0.599
H7	-0.885	1.778	0.599
H8	-0.885	-1.778	0.599
H9	0.885	-1.778	0.599
H10	0.000	1.316	-1.906
H11	0.000	-1.316	-1.906

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4186	2.3192	2.3192	1.4186	2.0696	2.0696	2.0696	2.0696	3.3562	3.3562
C2	1.4186		1.4980	2.3102	2.3290	1.1007	1.1007	3.0808	3.0808	2.2823	3.3672
C3	2.3192	1.4980		1.3281	2.3102	2.1707	2.1707	3.0714	3.0714	1.0834	2.1608
C4	2.3192	2.3102	1.3281		1.4980	3.0714	3.0714	2.1707	2.1707	2.1608	1.0834
C5	1.4186	2.3290	2.3102	1.4980		3.0808	3.0808	1.1007	1.1007	3.3672	2.2823
H6	2.0696	1.1007	2.1707	3.0714	3.0808		1.7707	3.9718	3.5552	2.6966	4.0777
H7	2.0696	1.1007	2.1707	3.0714	3.0808	1.7707		3.5552	3.9718	2.6966	4.0777
H8	2.0696	3.0808	3.0714	2.1707	1.1007	3.9718	3.5552		1.7707	4.0777	2.6966
H9	2.0696	3.0808	3.0714	2.1707	1.1007	3.5552	3.9718	1.7707		4.0777	2.6966
H10	3.3562	2.2823	1.0834	2.1608	3.3672	2.6966	2.6966	4.0777	4.0777		2.6317
H11	3.3562	3.3672	2.1608	1.0834	2.2823	4.0777	4.0777	2.6966	2.6966	2.6317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.314	O1	C2	H6	109.824
O1	C2	H7	109.824	O1	C5	C4	105.314
O1	C5	H8	109.824	O1	C5	H9	109.824
C2	O1	C5	110.340	C2	C3	C4	109.516
C2	C3	H10	123.496	C3	C2	H6	112.397
C3	C2	H7	112.397	C3	C4	C5	109.516
C3	C4	H11	126.988	C4	C3	H10	126.988
C4	C5	H8	112.397	C4	C5	H9	112.397
C5	C4	H11	123.496	H6	C2	H7	107.091
H8	C5	H9	107.091

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

using model chemistry: mPW1PW91/6-31G*

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	-0.505
2	C	-0.078
3	C	-0.180
4	C	-0.180
5	C	-0.078
6	H	0.167
7	H	0.167
8	H	0.167
9	H	0.167
10	H	0.176
11	H	0.176

<r²>	93.543
(<r²>)^1/2	9.672

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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