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	hartrees
Energy at 0K	-268.941197
Energy at 298.15K	-268.950712
HF Energy	-268.941197
Nuclear repulsion energy	240.128069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3381	3064	5.20
2	A	3259	2954	21.82
3	A	3247	2943	55.12
4	A	3222	2921	19.29
5	A	3202	2902	80.24
6	A	3183	2885	25.47
7	A	3172	2875	27.48
8	A	3158	2863	61.00
9	A	1870	1695	91.10
10	A	1655	1500	0.42
11	A	1627	1475	0.47
12	A	1604	1454	4.11
13	A	1590	1441	6.60
14	A	1549	1404	28.09
15	A	1530	1387	4.23
16	A	1447	1312	9.39
17	A	1386	1256	54.64
18	A	1364	1236	4.36
19	A	1318	1195	8.35
20	A	1307	1185	69.96
21	A	1177	1067	1.31
22	A	1164	1055	5.61
23	A	1154	1046	60.27
24	A	1101	998	7.98
25	A	1061	961	13.83
26	A	997	904	44.74
27	A	981	889	10.14
28	A	921	835	5.66
29	A	838	760	35.44
30	A	770	698	0.68
31	A	669	607	1.02
32	A	624	565	0.43
33	A	360	326	2.84
34	A	249	225	6.61
35	A	201	182	2.87
36	A	96	87	1.62

Atom	x (Å)	y (Å)	z (Å)
C1	-1.360	-0.807	0.081
H2	-1.898	-1.376	-0.660
H3	-1.641	-1.152	1.066
O4	0.033	-1.069	-0.084
C5	-1.521	0.711	-0.057
H6	-2.154	1.112	0.726
H7	-1.970	0.987	-1.005
C8	-0.086	1.157	0.036
H9	0.248	2.171	0.077
C10	2.181	-0.010	0.012
H11	2.518	-0.516	-0.884
H12	2.645	0.965	0.061
H13	2.501	-0.599	0.862
C14	0.701	0.109	-0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0784	1.0811	1.4268	1.5327	2.1742	2.1838	2.3411	3.3837	3.6296	4.0068	4.3787	3.9449	2.2562
H2	1.0784		1.7593	2.0385	2.2055	2.8596	2.3893	3.1915	4.2106	4.3536	4.5048	5.1609	4.7198	3.0649
H3	1.0811	1.7593		2.0326	2.1784	2.3456	2.9953	2.9681	3.9479	4.1259	4.6378	4.8844	4.1845	2.8657
O4	1.4268	2.0385	2.0326		2.3635	3.1927	3.0148	2.2327	3.2512	2.3966	2.6690	3.3132	2.6848	1.3568
C5	1.5327	2.2055	2.1784	2.3635		1.0830	1.0851	1.5056	2.2971	3.7718	4.3021	4.1750	4.3289	2.3025
H6	2.1742	2.8596	2.3456	3.1927	1.0830		1.7455	2.1800	2.7034	4.5335	5.2028	4.8462	4.9611	3.1112
H7	2.1838	2.3893	2.9953	3.0148	1.0851	1.7455		2.1593	2.7368	4.3878	4.7346	4.7360	5.0982	2.9851
C8	2.3411	3.1915	2.9681	2.2327	1.5056	2.1800	2.1593		1.0681	2.5494	3.2295	2.7374	3.2340	1.3109
H9	3.3837	4.2106	3.9479	3.2512	2.2971	2.7034	2.7368	1.0681		2.9146	3.6469	2.6833	3.6558	2.1123
C10	3.6296	4.3536	4.1259	2.3966	3.7718	4.5335	4.3878	2.5494	2.9146		1.0832	1.0802	1.0830	1.4848
H11	4.0068	4.5048	4.6378	2.6690	4.3021	5.2028	4.7346	3.2295	3.6469	1.0832		1.7614	1.7484	2.1155
H12	4.3787	5.1609	4.8844	3.3132	4.1750	4.8462	4.7360	2.7374	2.6833	1.0802	1.7614		1.7623	2.1248
H13	3.9449	4.7198	4.1845	2.6848	4.3289	4.9611	5.0982	3.2340	3.6558	1.0830	1.7484	1.7623		2.1185
C14	2.2562	3.0649	2.8657	1.3568	2.3025	3.1112	2.9851	1.3109	2.1123	1.4848	2.1155	2.1248	2.1185

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	108.269	C1	C5	H6	111.288
C1	C5	H7	111.929	C1	C5	C8	100.801
H2	C1	H3	109.114	H2	C1	O4	108.117
H2	C1	C5	114.138	H3	C1	O4	107.483
H3	C1	C5	111.737	O4	C1	C5	105.942
O4	C14	C8	113.627	O4	C14	C10	114.927
C5	C8	H9	125.533	C5	C8	C14	109.483
H6	C5	H7	107.238	H6	C5	C8	113.741
H7	C5	C8	111.890	C8	C14	C10	131.439
H9	C8	C14	124.919	H11	C10	H12	109.015
H11	C10	H13	107.628	H11	C10	C14	109.949
H12	C10	H13	109.103	H12	C10	C14	110.877
H13	C10	C14	110.199

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

using model chemistry: HF/Def2TZVPP

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	0.138
2	H	0.050
3	H	0.038
4	O	-0.411
5	C	-0.022
6	H	0.047
7	H	0.039
8	C	-0.218
9	H	0.074
10	C	-0.186
11	H	0.075
12	H	0.072
13	H	0.074
14	C	0.228

	x	y	z	Total
	-0.392	0.701	0.102	0.810
CHELPG
AIM
ESP

	x	y	z
x	10.050	-0.650	-0.001
y	-0.650	8.759	-0.012
z	-0.001	-0.012	6.716

<r²>	154.340
(<r²>)^1/2	12.423

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

using model chemistry: HF/Def2TZVPP

States and conformations

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