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	hartrees
Energy at 0K	-231.229790
Energy at 298.15K	-231.236930
HF Energy	-231.229790
Nuclear repulsion energy	175.015254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3280	3135	4.82
2	A	3246	3103	2.84
3	A	3132	2995	34.85
4	A	3092	2956	28.91
5	A	3069	2934	38.08
6	A	3050	2915	41.68
7	A	1714	1639	66.49
8	A	1531	1464	0.97
9	A	1507	1441	0.90
10	A	1423	1361	5.91
11	A	1338	1279	2.09
12	A	1321	1263	10.45
13	A	1259	1204	6.36
14	A	1222	1168	6.79
15	A	1189	1137	79.31
16	A	1117	1068	43.59
17	A	1086	1038	2.88
18	A	1027	981	8.82
19	A	962	920	31.35
20	A	946	904	27.58
21	A	935	893	2.67
22	A	857	819	1.20
23	A	848	811	4.92
24	A	721	690	39.01
25	A	707	676	5.18
26	A	462	442	21.16
27	A	52	50	1.09

Atom	x (Å)	y (Å)	z (Å)
H1	1.120	2.021	0.061
C2	0.610	1.074	0.032
H3	2.238	-0.372	0.020
C4	1.191	-0.113	0.009
O5	0.347	-1.175	-0.055
H6	-1.290	1.263	-0.985
H7	-1.419	1.377	0.764
C8	-0.882	0.883	-0.046
H9	-1.589	-1.095	-0.739
H10	-1.392	-0.967	1.019
C11	-0.994	-0.649	0.055

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0761	2.6421	2.1359	3.2911	2.7348	2.7123	2.3057	4.2060	4.0196	3.4057
C2	1.0761		2.1778	1.3217	2.2667	2.1635	2.1782	1.5063	3.1835	3.0246	2.3542
H3	2.6421	2.1778		1.0786	2.0562	4.0165	4.1212	3.3635	3.9677	3.8113	3.2438
C4	2.1359	1.3217	1.0786		1.3590	3.0064	3.0984	2.3004	3.0418	2.9019	2.2503
O5	3.2911	2.2667	2.0562	1.3590		3.0808	3.2093	2.3969	2.0543	2.0538	1.4443
H6	2.7348	2.1635	4.0165	3.0064	3.0808		1.7580	1.0924	2.3898	3.0003	2.1967
H7	2.7123	2.1782	4.1212	3.0984	3.2093	1.7580		1.0904	2.8977	2.3574	2.1876
C8	2.3057	1.5063	3.3635	2.3004	2.3969	1.0924	1.0904		2.2115	2.1945	1.5389
H9	4.2060	3.1835	3.9677	3.0418	2.0543	2.3898	2.8977	2.2115		1.7736	1.0878
H10	4.0196	3.0246	3.8113	2.9019	2.0538	3.0003	2.3574	2.1945	1.7736		1.0905
C11	3.4057	2.3542	3.2438	2.2503	1.4443	2.1967	2.1876	1.5389	1.0878	1.0905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.626	H1	C2	C8	125.648
C2	C4	H3	129.988	C2	C4	O5	115.457
C2	C8	H6	111.731	C2	C8	H7	113.053
C2	C8	C11	101.254	H3	C4	O5	114.549
C4	C2	C8	108.685	C4	O5	C11	106.745
O5	C11	C8	106.882	O5	C11	H9	107.619
O5	C11	H10	107.418	H6	C8	H7	107.300
H6	C8	C11	112.084	H7	C8	C11	111.474
C8	C11	H9	113.581	C8	C11	H10	112.020
H9	C11	H10	109.027

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

using model chemistry: wB97X-D/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	H	0.130
2	C	-0.260
3	H	0.125
4	C	0.029
5	O	-0.257
6	H	0.086
7	H	0.086
8	C	-0.132
9	H	0.070
10	H	0.066
11	C	0.058

	x	y	z	Total
	-0.715	0.887	0.074	1.141
CHELPG
AIM
ESP

	x	y	z
x	7.579	-0.222	0.024
y	-0.222	7.715	-0.015
z	0.024	-0.015	5.210

<r²>	93.513
(<r²>)^1/2	9.670

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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