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	hartrees
Energy at 0K	-230.946262
Energy at 298.15K	-230.953323
Nuclear repulsion energy	173.034991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3174	4.91
2	A	3161	3142	2.98
3	A	3042	3025	30.24
4	A	3001	2984	26.69
5	A	2956	2939	48.29
6	A	2936	2919	46.05
7	A	1639	1630	56.08
8	A	1435	1426	0.85
9	A	1412	1404	0.30
10	A	1350	1342	4.58
11	A	1269	1262	3.02
12	A	1243	1236	3.92
13	A	1191	1184	9.63
14	A	1158	1151	15.58
15	A	1119	1113	61.83
16	A	1058	1051	20.81
17	A	1023	1017	4.02
18	A	988	982	4.50
19	A	923	918	16.03
20	A	909	904	35.69
21	A	865	860	4.56
22	A	821	816	1.35
23	A	809	804	6.23
24	A	679	675	28.12
25	A	660	657	3.04
26	A	442	439	19.44
27	A	113	112	0.87

Atom	x (Å)	y (Å)	z (Å)
H1	0.799	2.203	0.098
C2	0.437	1.171	0.055
H3	2.296	-0.042	0.019
C4	1.204	0.064	0.010
O5	0.526	-1.126	-0.082
H6	-1.436	1.035	-1.064
H7	-1.676	1.181	0.699
C8	-1.012	0.744	-0.075
H9	-1.458	-1.376	-0.659
H10	-1.185	-1.121	1.105
C11	-0.886	-0.790	0.086

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0950	2.7000	2.1789	3.3449	2.7764	2.7448	2.3325	4.2988	3.9997	3.4348
C2	1.0950		2.2205	1.3472	2.3023	2.1856	2.2092	1.5163	3.2539	2.9968	2.3652
H3	2.7000	2.2205		1.0979	2.0775	4.0325	4.2121	3.4021	4.0418	3.8022	3.2696
C4	2.1789	1.3472	1.0979		1.3720	3.0102	3.1652	2.3195	3.0995	2.8819	2.2586
O5	3.3449	2.3023	2.0775	1.3720		3.0793	3.2843	2.4215	2.0821	2.0822	1.4616
H6	2.7764	2.1856	4.0325	3.0102	3.0793		1.7854	1.1143	2.4446	3.0677	2.2252
H7	2.7448	2.2092	4.2121	3.1652	3.2843	1.7854		1.1098	2.9041	2.3889	2.2107
C8	2.3325	1.5163	3.4021	2.3195	2.4215	1.1143	1.1098		2.2437	2.2131	1.5471
H9	4.2988	3.2539	4.0418	3.0995	2.0821	2.4446	2.9041	2.2437		1.8030	1.1070
H10	3.9997	2.9968	3.8022	2.8819	2.0822	3.0677	2.3889	2.2131	1.8030		1.1124
C11	3.4348	2.3652	3.2696	2.2586	1.4616	2.2252	2.2107	1.5471	1.1070	1.1124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.982	H1	C2	C8	125.802
C2	C4	H3	130.223	C2	C4	O5	115.702
C2	C8	H6	111.454	C2	C8	H7	113.642
C2	C8	C11	101.080	H3	C4	O5	114.067
C4	C2	C8	108.051	C4	O5	C11	105.663
O5	C11	C8	107.150	O5	C11	H9	107.503
O5	C11	H10	107.207	H6	C8	H7	106.782
H6	C8	C11	112.437	H7	C8	C11	111.558
C8	C11	H9	114.403	C8	C11	H10	111.593
H9	C11	H10	108.657

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

using model chemistry: PBEPBE/cc-pVDZ

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	-0.016
2	C	-0.130
3	H	0.006
4	C	0.143
5	O	-0.238
6	H	0.040
7	H	0.036
8	C	-0.024
9	H	0.037
10	H	0.038
11	C	0.107

	x	y	z	Total
	-0.775	0.592	0.093	0.979
CHELPG
AIM
ESP

	x	y	z
x	7.582	-0.134	0.055
y	-0.134	7.463	-0.024
z	0.055	-0.024	4.683

<r²>	95.141
(<r²>)^1/2	9.754

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

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

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