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	hartrees
Energy at 0K	-231.227087
Energy at 298.15K	-231.234257
HF Energy	-231.227087
Nuclear repulsion energy	174.946103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3245	3105	6.28
2	A₁	3014	2883	5.09
3	A₁	1713	1639	0.07
4	A₁	1522	1455	2.65
5	A₁	1410	1349	2.77
6	A₁	1112	1063	0.77
7	A₁	1001	958	9.98
8	A₁	938	897	22.28
9	A₁	760	727	6.27
10	A₂	3035	2903	0.00
11	A₂	1244	1190	0.00
12	A₂	1067	1021	0.00
13	A₂	979	937	0.00
14	A₂	401	383	0.00
15	B₁	3036	2904	75.09
16	B₁	1204	1152	1.68
17	B₁	1029	985	20.23
18	B₁	696	666	39.36
19	B₁	83	79	9.13
20	B₂	3221	3081	2.64
21	B₂	3009	2878	149.88
22	B₂	1512	1446	0.05
23	B₂	1385	1325	6.19
24	B₂	1335	1277	0.27
25	B₂	1153	1103	108.13
26	B₂	923	883	0.99
27	B₂	822	786	1.52

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.182
C2	0.000	1.166	0.369
C3	0.000	0.660	-1.038
C4	0.000	-0.660	-1.038
C5	0.000	-1.166	0.369
H6	0.885	1.770	0.597
H7	-0.885	1.770	0.597
H8	-0.885	-1.770	0.597
H9	0.885	-1.770	0.597
H10	0.000	1.305	-1.903
H11	0.000	-1.305	-1.903

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4218	2.3162	2.3162	1.4218	2.0635	2.0635	2.0635	2.0635	3.3499	3.3499
C2	1.4218		1.4953	2.3052	2.3324	1.0954	1.0954	3.0748	3.0748	2.2761	3.3570
C3	2.3162	1.4953		1.3197	2.3052	2.1651	2.1651	3.0591	3.0591	1.0792	2.1470
C4	2.3162	2.3052	1.3197		1.4953	3.0591	3.0591	2.1651	2.1651	2.1470	1.0792
C5	1.4218	2.3324	2.3052	1.4953		3.0748	3.0748	1.0954	1.0954	3.3570	2.2761
H6	2.0635	1.0954	2.1651	3.0591	3.0748		1.7707	3.9574	3.5392	2.6922	4.0604
H7	2.0635	1.0954	2.1651	3.0591	3.0748	1.7707		3.5392	3.9574	2.6922	4.0604
H8	2.0635	3.0748	3.0591	2.1651	1.0954	3.9574	3.5392		1.7707	4.0604	2.6922
H9	2.0635	3.0748	3.0591	2.1651	1.0954	3.5392	3.9574	1.7707		4.0604	2.6922
H10	3.3499	2.2761	1.0792	2.1470	3.3570	2.6922	2.6922	4.0604	4.0604		2.6104
H11	3.3499	3.3570	2.1470	1.0792	2.2761	4.0604	4.0604	2.6922	2.6922	2.6104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.096	O1	C2	H6	109.441
O1	C2	H7	109.441	O1	C5	C4	105.096
O1	C5	H8	109.441	O1	C5	H9	109.441
C2	O1	C5	110.217	C2	C3	C4	109.795
C2	C3	H10	123.478	C3	C2	H6	112.474
C3	C2	H7	112.474	C3	C4	C5	109.795
C3	C4	H11	126.727	C4	C3	H10	126.727
C4	C5	H8	112.474	C4	C5	H9	112.474
C5	C4	H11	123.478	H6	C2	H7	107.855
H8	C5	H9	107.855

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	-0.499
2	C	-0.187
3	C	-0.566
4	C	-0.566
5	C	-0.187
6	H	0.280
7	H	0.280
8	H	0.280
9	H	0.280
10	H	0.443
11	H	0.443

<r²>	93.611
(<r²>)^1/2	9.675

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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