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	hartrees
Energy at 0K	-270.486328
Energy at 298.15K	-270.495552
Nuclear repulsion energy	239.251123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3254	3124	4.33
2	A	3158	3032	13.86
3	A	3129	3004	36.61
4	A	3112	2988	13.40
5	A	3086	2963	37.35
6	A	3052	2930	21.69
7	A	3041	2919	53.58
8	A	3018	2898	52.23
9	A	1747	1677	60.72
10	A	1514	1454	1.68
11	A	1490	1431	1.10
12	A	1484	1425	5.21
13	A	1465	1406	8.96
14	A	1419	1362	31.94
15	A	1397	1341	2.52
16	A	1326	1273	8.02
17	A	1269	1218	56.79
18	A	1259	1209	9.20
19	A	1212	1164	32.72
20	A	1207	1159	5.10
21	A	1075	1032	0.20
22	A	1059	1016	19.36
23	A	1053	1011	36.47
24	A	1029	988	5.64
25	A	987	948	12.40
26	A	951	913	12.17
27	A	926	889	28.50
28	A	863	828	4.61
29	A	738	709	30.05
30	A	682	655	0.69
31	A	636	611	1.11
32	A	562	540	0.91
33	A	333	320	2.31
34	A	227	218	6.68
35	A	173	166	3.00
36	A	143	138	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-1.346	-0.808	0.112
H2	-1.923	-1.426	-0.574
H3	-1.583	-1.100	1.139
O4	0.047	-1.085	-0.109
C5	-1.528	0.701	-0.087
H6	-2.210	1.121	0.655
H7	-1.932	0.946	-1.076
C8	-0.106	1.167	0.060
H9	0.214	2.195	0.116
C10	2.178	0.005	0.011
H11	2.526	-0.486	-0.900
H12	2.635	0.991	0.078
H13	2.513	-0.602	0.855
C14	0.701	0.109	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0886	1.0942	1.4374	1.5327	2.1823	2.1975	2.3325	3.3840	3.6182	4.0154	4.3686	3.9354	2.2460
H2	1.0886		1.7769	2.0527	2.2174	2.8422	2.4240	3.2287	4.2606	4.3830	4.5594	5.2000	4.7331	3.0942
H3	1.0942	1.7769		2.0532	2.1794	2.3582	3.0354	2.9133	3.8903	4.0794	4.6286	4.8261	4.1361	2.8241
O4	1.4374	2.0527	2.0532		2.3810	3.2472	2.9957	2.2635	3.2918	2.3969	2.6706	3.3228	2.6917	1.3663
C5	1.5327	2.2174	2.1794	2.3810		1.0918	1.0963	1.5028	2.3036	3.7716	4.3018	4.1757	4.3484	2.3073
H6	2.1823	2.8422	2.3582	3.2472	1.0918		1.7614	2.1870	2.7059	4.5733	5.2380	4.8811	5.0313	3.1504
H7	2.1975	2.4240	3.0354	2.9957	1.0963	1.7614		2.1610	2.7542	4.3539	4.6859	4.7103	5.0870	2.9649
C8	2.3325	3.2287	2.9133	2.2635	1.5028	2.1870	2.1610		1.0781	2.5632	3.2534	2.7469	3.2589	1.3316
H9	3.3840	4.2606	3.8903	3.2918	2.3036	2.7059	2.7542	1.0781		2.9429	3.6832	2.7038	3.6943	2.1444
C10	3.6182	4.3830	4.0794	2.3969	3.7716	4.5733	4.3539	2.5632	2.9429		1.0923	1.0882	1.0921	1.4808
H11	4.0154	4.5594	4.6286	2.6706	4.3018	5.2380	4.6859	3.2534	3.6832	1.0923		1.7744	1.7591	2.1212
H12	4.3686	5.2000	4.8261	3.3228	4.1757	4.8811	4.7103	2.7469	2.7038	1.0882	1.7744		1.7761	2.1266
H13	3.9354	4.7331	4.1361	2.6917	4.3484	5.0313	5.0870	3.2589	3.6943	1.0921	1.7591	1.7761		2.1256
C14	2.2460	3.0942	2.8241	1.3663	2.3073	3.1504	2.9649	1.3316	2.1444	1.4808	2.1212	2.1266	2.1256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.440	C1	C5	H6	111.400
C1	C5	H7	112.353	C1	C5	C8	100.415
H2	C1	H3	108.984	H2	C1	O4	107.914
H2	C1	C5	114.478	H3	C1	O4	107.626
H3	C1	C5	111.022	O4	C1	C5	106.534
O4	C14	C8	114.056	O4	C14	C10	114.615
C5	C8	H9	125.588	C5	C8	C14	108.831
H6	C5	H7	107.226	H6	C5	C8	113.960
H7	C5	C8	111.540	C8	C14	C10	131.319
H9	C8	C14	125.385	H11	C10	H12	108.928
H11	C10	H13	107.275	H11	C10	C14	110.132
H12	C10	H13	109.097	H12	C10	C14	110.824
H13	C10	C14	110.499

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

using model chemistry: B1B95/6-311G**

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	-0.044
2	H	0.128
3	H	0.131
4	O	-0.345
5	C	-0.260
6	H	0.135
7	H	0.137
8	C	-0.241
9	H	0.103
10	C	-0.288
11	H	0.139
12	H	0.129
13	H	0.140
14	C	0.135

	x	y	z	Total
	-0.380	0.654	0.154	0.772
CHELPG
AIM
ESP

	x	y	z
x	10.215	-0.561	0.024
y	-0.561	8.654	-0.015
z	0.024	-0.015	6.268

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/6-311G**

States and conformations

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