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	hartrees
Energy at 0K	-42.091234
Energy at 298.15K	-42.098264
Nuclear repulsion energy	92.255369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3244	3162	13.07
2	A	3209	3127	1.25
3	A	3105	3026	54.33
4	A	3040	2963	64.65
5	A	3029	2952	25.19
6	A	2992	2916	60.30
7	A	1634	1593	49.95
8	A	1533	1494	1.68
9	A	1516	1477	0.41
10	A	1385	1349	0.63
11	A	1305	1272	13.39
12	A	1302	1268	3.48
13	A	1239	1207	2.53
14	A	1188	1158	3.04
15	A	1151	1122	36.65
16	A	1079	1051	1.72
17	A	1042	1015	77.52
18	A	1003	978	3.01
19	A	917	894	27.35
20	A	906	882	4.54
21	A	882	859	35.47
22	A	831	810	3.78
23	A	823	802	2.79
24	A	731	712	60.17
25	A	687	669	3.21
26	A	442	430	23.03
27	A	43	41	2.41

Atom	x (Å)	y (Å)	z (Å)
H1	1.171	2.044	0.042
C2	0.660	1.090	0.021
H3	2.299	-0.408	0.010
C4	1.254	-0.125	0.005
O5	0.359	-1.218	-0.035
H6	-1.290	1.337	-0.953
H7	-1.369	1.411	0.814
C8	-0.865	0.918	-0.029
H9	-1.588	-1.059	-0.807
H10	-1.466	-0.983	0.978
C11	-1.027	-0.641	0.034

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0830	2.6991	2.1711	3.3630	2.7472	2.7291	2.3279	4.2382	4.1225	3.4697
C2	1.0830		2.2198	1.3519	2.3281	2.1941	2.2018	1.5357	3.2180	3.1195	2.4164
H3	2.6991	2.2198		1.0828	2.1026	4.1050	4.1721	3.4308	4.0247	3.9300	3.3339
C4	2.1711	1.3519	1.0828		1.4132	3.0862	3.1452	2.3620	3.0993	3.0137	2.3382
O5	3.3630	2.3281	2.1026	1.4132		3.1768	3.2591	2.4626	2.1007	2.1012	1.5033
H6	2.7472	2.1941	4.1050	3.0862	3.1768		1.7703	1.0999	2.4186	3.0231	2.2257
H7	2.7291	2.2018	4.1721	3.1452	3.2591	1.7703		1.0986	2.9623	2.4014	2.2213
C8	2.3279	1.5357	3.4308	2.3620	2.4626	1.0999	1.0986		2.2442	2.2335	1.5684
H9	4.2382	3.2180	4.0247	3.0993	2.1007	2.4186	2.9623	2.2442		1.7902	1.0940
H10	4.1225	3.1195	3.9300	3.0137	2.1012	3.0231	2.4014	2.2335	1.7902		1.0959
C11	3.4697	2.4164	3.3339	2.3382	1.5033	2.2257	2.2213	1.5684	1.0940	1.0959

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.804	H1	C2	C8	124.577
C2	C4	H3	131.179	C2	C4	O5	114.681
C2	C8	H6	111.641	C2	C8	H7	112.345
C2	C8	C11	102.234	H3	C4	O5	114.139
C4	C2	C8	109.602	C4	O5	C11	106.549
O5	C11	C8	106.567	O5	C11	H9	106.898
O5	C11	H10	106.830	H6	C8	H7	107.259
H6	C8	C11	111.849	H7	C8	C11	111.581
C8	C11	H9	113.707	C8	C11	H10	112.721
H9	C11	H10	109.668

All results from a given calculation for C₄H₆O (Furan, 2,3-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	H	0.170
2	C	-0.075
3	H	0.167
4	C	-0.091
5	O	-0.258
6	H	0.150
7	H	0.149
8	C	-0.371
9	H	0.156
10	H	0.154
11	C	-0.151

	x	y	z	Total
	-0.920	1.530	0.071	1.787
CHELPG
AIM
ESP

	x	y	z
x	7.595	-0.281	0.021
y	-0.281	7.710	0.001
z	0.021	0.001	4.899

<r²>	81.851
(<r²>)^1/2	9.047

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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