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	hartrees
Energy at 0K	-42.155035
Energy at 298.15K	-42.162109
Nuclear repulsion energy	93.212773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3203	3105	15.80
2	A₁	2975	2884	13.76
3	A₁	1659	1608	0.18
4	A₁	1535	1488	1.12
5	A₁	1394	1351	9.14
6	A₁	1107	1073	1.05
7	A₁	973	943	9.97
8	A₁	901	874	20.55
9	A₁	739	716	6.44
10	A₂	2992	2900	0.00
11	A₂	1215	1178	0.00
12	A₂	1052	1020	0.00
13	A₂	937	908	0.00
14	A₂	382	370	0.00
15	B₁	2995	2903	141.06
16	B₁	1168	1133	5.11
17	B₁	1024	992	20.84
18	B₁	672	651	41.25
19	B₁	95	92	8.45
20	B₂	3180	3082	7.74
21	B₂	2969	2878	189.91
22	B₂	1523	1476	3.41
23	B₂	1365	1324	1.26
24	B₂	1317	1277	0.12
25	B₂	1103	1069	106.76
26	B₂	905	877	0.00
27	B₂	799	775	3.42

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.201
C2	0.000	1.183	0.374
C3	0.000	0.670	-1.054
C4	0.000	-0.670	-1.054
C5	0.000	-1.183	0.374
H6	0.891	1.793	0.602
H7	-0.891	1.793	0.602
H8	-0.891	-1.793	0.602
H9	0.891	-1.793	0.602
H10	0.000	1.322	-1.924
H11	0.000	-1.322	-1.924

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4431	2.3517	2.3517	1.4431	2.0901	2.0901	2.0901	2.0901	3.3930	3.3930
C2	1.4431		1.5171	2.3387	2.3656	1.1037	1.1037	3.1150	3.1150	2.3024	3.3992
C3	2.3517	1.5171		1.3391	2.3387	2.1903	2.1903	3.0985	3.0985	1.0878	2.1733
C4	2.3517	2.3387	1.3391		1.5171	3.0985	3.0985	2.1903	2.1903	2.1733	1.0878
C5	1.4431	2.3656	2.3387	1.5171		3.1150	3.1150	1.1037	1.1037	3.3992	2.3024
H6	2.0901	1.1037	2.1903	3.0985	3.1150		1.7814	4.0049	3.5869	2.7198	4.1084
H7	2.0901	1.1037	2.1903	3.0985	3.1150	1.7814		3.5869	4.0049	2.7198	4.1084
H8	2.0901	3.1150	3.0985	2.1903	1.1037	4.0049	3.5869		1.7814	4.1084	2.7198
H9	2.0901	3.1150	3.0985	2.1903	1.1037	3.5869	4.0049	1.7814		4.1084	2.7198
H10	3.3930	2.3024	1.0878	2.1733	3.3992	2.7198	2.7198	4.1084	4.1084		2.6435
H11	3.3930	3.3992	2.1733	1.0878	2.3024	4.1084	4.1084	2.7198	2.7198	2.6435

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.181	O1	C2	H6	109.580
O1	C2	H7	109.580	O1	C5	C4	105.181
O1	C5	H8	109.580	O1	C5	H9	109.580
C2	O1	C5	110.090	C2	C3	C4	109.773
C2	C3	H10	123.387	C3	C2	H6	112.430
C3	C2	H7	112.430	C3	C4	C5	109.773
C3	C4	H11	126.839	C4	C3	H10	126.839
C4	C5	H8	112.430	C4	C5	H9	112.430
C5	C4	H11	123.387	H6	C2	H7	107.604
H8	C5	H9	107.604

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

using model chemistry: B3LYP/CEP-121G*

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	-0.290
2	C	-0.191
3	C	-0.155
4	C	-0.155
5	C	-0.191
6	H	0.147
7	H	0.147
8	H	0.147
9	H	0.147
10	H	0.197
11	H	0.197

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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