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	hartrees
Energy at 0K	-229.705885
Energy at 298.15K	-229.712997
HF Energy	-229.705885
Nuclear repulsion energy	172.280712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3312	3191	3.68
2	A	3280	3160	0.90
3	A	3168	3052	30.02
4	A	3114	2999	7.66
5	A	3112	2998	35.58
6	A	3078	2965	28.23
7	A	1695	1632	38.34
8	A	1567	1510	1.12
9	A	1540	1483	0.83
10	A	1404	1352	2.61
11	A	1333	1284	12.56
12	A	1312	1264	14.94
13	A	1286	1239	0.71
14	A	1217	1172	1.75
15	A	1183	1140	28.98
16	A	1083	1043	0.24
17	A	1071	1032	74.18
18	A	1007	970	0.92
19	A	959	924	2.73
20	A	933	899	15.98
21	A	915	882	35.98
22	A	850	819	1.79
23	A	843	812	0.94
24	A	744	717	54.03
25	A	713	687	3.08
26	A	461	444	29.24
27	A	51	50	1.95

Atom	x (Å)	y (Å)	z (Å)
H1	1.119	1.852	0.533
C2	0.648	1.008	0.135
H3	2.225	-0.416	0.057
C4	1.189	-0.207	0.000
O5	0.207	-1.196	-0.204
H6	-0.819	0.756	-1.345
H7	-1.420	1.682	0.074
C8	-0.760	0.884	-0.257
H9	-1.992	-0.918	-0.057
H10	-1.025	-0.485	1.383
C11	-1.035	-0.502	0.286

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0454	2.5679	2.1279	3.2660	2.9122	2.5852	2.2564	4.2067	3.2825	3.1993
C2	1.0454		2.1260	1.3363	2.2731	2.0987	2.1760	1.4673	3.2734	2.5656	2.2654
H3	2.5679	2.1260		1.0588	2.1795	3.5506	4.2056	3.2718	4.2487	3.5105	3.2690
C4	2.1279	1.3363	1.0588		1.4088	2.6015	3.2215	2.2489	3.2600	2.6246	2.2611
O5	3.2660	2.2731	2.1795	1.4088		2.4833	3.3179	2.2955	2.2218	2.1314	1.5053
H6	2.9122	2.0987	3.5506	2.6015	2.4833		1.7976	1.0970	2.4162	3.0037	2.0714
H7	2.5852	2.1760	4.2056	3.2215	3.3179	1.7976		1.0862	2.6651	2.5616	2.2271
C8	2.2564	1.4673	3.2718	2.2489	2.2955	1.0970	1.0862		2.1921	2.1524	1.5138
H9	4.2067	3.2734	4.2487	3.2600	2.2218	2.4162	2.6651	2.1921		1.7880	1.0993
H10	3.2825	2.5656	3.5105	2.6246	2.1314	3.0037	2.5616	2.1524	1.7880		1.0963
C11	3.1993	2.2654	3.2690	2.2611	1.5053	2.0714	2.2271	1.5138	1.0993	1.0963

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.182	H1	C2	C8	126.980
C2	C4	H3	124.757	C2	C4	O5	111.777
C2	C8	H6	109.003	C2	C8	H7	116.090
C2	C8	C11	98.902	H3	C4	O5	123.456
C4	C2	C8	106.579	C4	O5	C11	101.730
O5	C11	C8	98.987	O5	C11	H9	116.216
O5	C11	H10	109.009	H6	C8	H7	110.840
H6	C8	C11	103.859	H7	C8	C11	116.913
C8	C11	H9	113.090	C8	C11	H10	110.075
H9	C11	H10	109.052

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: HSEh1PBE/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	H	0.213
2	C	-0.300
3	H	0.244
4	C	0.097
5	O	-0.496
6	H	0.235
7	H	0.235
8	C	-0.495
9	H	0.235
10	H	0.235
11	C	-0.203

	x	y	z	Total
	-0.825	1.169	-0.000	1.431
CHELPG
AIM
ESP

	x	y	z
x	6.513	-0.168	0.000
y	-0.168	6.597	0.000
z	0.000	0.000	3.706

<r²>	95.765
(<r²>)^1/2	9.786

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)