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	hartrees
Energy at 0K	-270.546308
Energy at 298.15K	-270.555394
Nuclear repulsion energy	237.398185

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3117	5.31
2	A	3147	3015	15.50
3	A	3117	2986	44.13
4	A	3100	2970	16.14
5	A	3066	2938	59.18
6	A	3049	2921	25.83
7	A	3049	2921	29.91
8	A	3019	2892	55.57
9	A	1748	1675	53.03
10	A	1551	1486	0.15
11	A	1529	1464	0.12
12	A	1519	1455	4.54
13	A	1501	1438	6.88
14	A	1446	1385	13.79
15	A	1420	1361	9.83
16	A	1336	1280	11.01
17	A	1283	1229	42.70
18	A	1263	1210	5.80
19	A	1221	1170	14.27
20	A	1213	1162	36.60
21	A	1095	1049	0.80
22	A	1077	1031	3.64
23	A	1049	1005	29.51
24	A	1027	984	20.02
25	A	992	950	23.60
26	A	939	899	19.80
27	A	914	876	18.71
28	A	857	821	3.39
29	A	735	704	22.05
30	A	710	680	2.29
31	A	633	606	0.98
32	A	557	533	2.08
33	A	333	319	2.08
34	A	224	214	6.02
35	A	174	167	2.12
36	A	88	84	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	-1.366	-0.819	0.070
H2	-1.894	-1.389	-0.699
H3	-1.680	-1.186	1.055
O4	0.050	-1.096	-0.070
C5	-1.538	0.716	-0.054
H6	-2.178	1.114	0.743
H7	-2.004	1.004	-1.009
C8	-0.101	1.175	0.038
H9	0.220	2.208	0.074
C10	2.196	0.004	0.007
H11	2.548	-0.512	-0.894
H12	2.656	0.994	0.048
H13	2.539	-0.582	0.869
C14	0.708	0.111	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0934	1.0968	1.4493	1.5496	2.2025	2.2126	2.3615	3.4171	3.6555	4.0425	4.4113	3.9927	2.2742
H2	1.0934		1.7787	2.0642	2.2293	2.9025	2.4152	3.2139	4.2426	4.3773	4.5318	5.1898	4.7709	3.0839
H3	1.0968	1.7787		2.0659	2.2060	2.3740	3.0264	3.0168	4.0113	4.1874	4.7046	4.9567	4.2666	2.9154
O4	1.4493	2.0642	2.0659		2.4095	3.2421	3.0837	2.2786	3.3110	2.4120	2.6945	3.3423	2.7095	1.3767
C5	1.5496	2.2293	2.2060	2.4095		1.0972	1.1000	1.5117	2.3098	3.8018	4.3489	4.2047	4.3776	2.3274
H6	2.2025	2.9025	2.3740	3.2421	1.0972		1.7635	2.1941	2.7196	4.5722	5.2597	4.8853	5.0147	3.1448
H7	2.2126	2.4152	3.0264	3.0837	1.1000	1.7635		2.1780	2.7504	4.4346	4.7989	4.7775	5.1650	3.0283
C8	2.3615	3.2139	3.0168	2.2786	1.5117	2.1941	2.1780		1.0820	2.5785	3.2765	2.7630	3.2785	1.3375
H9	3.4171	4.2426	4.0113	3.3110	2.3098	2.7196	2.7504	1.0820		2.9605	3.7085	2.7212	3.7136	2.1538
C10	3.6555	4.3773	4.1874	2.4120	3.8018	4.5722	4.4346	2.5785	2.9605		1.0969	1.0930	1.0968	1.4911
H11	4.0425	4.5318	4.7046	2.6945	4.3489	5.2597	4.7989	3.2765	3.7085	1.0969		1.7797	1.7646	2.1388
H12	4.4113	5.1898	4.9567	3.3423	4.2047	4.8853	4.7775	2.7630	2.7212	1.0930	1.7797		1.7809	2.1387
H13	3.9927	4.7709	4.2666	2.7095	4.3776	5.0147	5.1650	3.2785	3.7136	1.0968	1.7646	1.7809		2.1415
C14	2.2742	3.0839	2.9154	1.3767	2.3274	3.1448	3.0283	1.3375	2.1538	1.4911	2.1388	2.1387	2.1415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	107.138	C1	C5	H6	111.492
C1	C5	H7	112.133	C1	C5	C8	100.955
H2	C1	H3	108.611	H2	C1	O4	107.723
H2	C1	C5	113.909	H3	C1	O4	107.657
H3	C1	C5	111.798	O4	C1	C5	106.876
O4	C14	C8	114.170	O4	C14	C10	114.444
C5	C8	H9	125.064	C5	C8	C14	109.395
H6	C5	H7	106.765	H6	C5	C8	113.550
H7	C5	C8	112.049	C8	C14	C10	131.382
H9	C8	C14	125.460	H11	C10	H12	108.722
H11	C10	H13	107.106	H11	C10	C14	110.541
H12	C10	H13	108.831	H12	C10	C14	110.774
H13	C10	C14	110.764

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: B3LYPultrafine/6-31G*

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.034
2	H	0.149
3	H	0.146
4	O	-0.504
5	C	-0.323
6	H	0.146
7	H	0.147
8	C	-0.234
9	H	0.123
10	C	-0.519
11	H	0.169
12	H	0.161
13	H	0.168
14	C	0.405

	x	y	z	Total
	-0.399	0.678	0.105	0.794
CHELPG
AIM
ESP

	x	y	z
x	9.634	-0.553	0.017
y	-0.553	8.201	0.007
z	0.017	0.007	5.685

<r²>	156.710
(<r²>)^1/2	12.518

All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)