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	hartrees
Energy at 0K	-232.385326
Energy at 298.15K	-232.395164
HF Energy	-232.385326
Nuclear repulsion energy	189.913351

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3053	3009	22.02
2	A	3016	2972	1.73
3	A	2993	2950	23.97
4	A	2938	2896	3.08
5	A	1507	1485	0.00
6	A	1473	1452	4.84
7	A	1369	1349	3.30
8	A	1317	1298	0.37
9	A	1234	1217	0.20
10	A	1162	1145	5.51
11	A	1148	1132	0.00
12	A	1013	999	3.53
13	A	906	893	5.75
14	A	876	864	20.88
15	A	828	816	10.48
16	A	659	649	2.96
17	A	256	253	0.00
18	B	3061	3017	57.75
19	B	3014	2971	129.28
20	B	2997	2954	6.70
21	B	2932	2890	166.49
22	B	1494	1472	1.17
23	B	1464	1443	3.63
24	B	1340	1321	0.95
25	B	1293	1274	1.97
26	B	1234	1216	6.55
27	B	1159	1143	2.17
28	B	1039	1024	109.75
29	B	953	939	0.35
30	B	892	879	5.70
31	B	867	854	14.72
32	B	570	561	0.76
33	B	44	43	4.80

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.259
C2	0.000	1.177	0.426
C3	0.000	-1.177	0.426
C4	0.314	0.701	-0.996
C5	-0.314	-0.701	-0.996
H6	-0.740	-1.883	0.820
H7	0.740	1.883	0.820
H8	-0.993	1.653	0.470
H9	0.993	-1.653	0.470
H10	1.399	0.630	-1.147
H11	-1.399	-0.630	-1.147
H12	-0.098	1.362	-1.763
H13	0.098	-1.362	-1.763

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
O1		1.4420	1.4420	2.3823	2.3823	2.0707	2.0707	2.0835	2.0835	2.8536	2.8536	3.3172	3.3172
C2	1.4420		2.3537	1.5321	2.3759	3.1729	1.0966	1.1021	2.9993	2.1745	2.7741	2.1996	3.3542
C3	1.4420	2.3537		2.3759	1.5321	1.0966	3.1729	2.9993	1.1021	2.7741	2.1745	3.3542	2.1996
C4	2.3823	1.5321	2.3759		1.5357	3.3295	2.2085	2.1831	2.8545	1.0968	2.1744	1.0944	2.2116
C5	2.3823	2.3759	1.5321	1.5357		2.2085	3.3295	2.8545	2.1831	2.1744	1.0968	2.2116	1.0944
H6	2.0707	3.1729	1.0966	3.3295	2.2085		4.0471	3.5623	1.7833	3.8421	2.4231	4.1976	2.7659
H7	2.0707	1.0966	3.1729	2.2085	3.3295	4.0471		1.7833	3.5623	2.4231	3.8421	2.7659	4.1976
H8	2.0835	1.1021	2.9993	2.1831	2.8545	3.5623	1.7833		3.8565	3.0627	2.8271	2.4237	3.9080
H9	2.0835	2.9993	1.1021	2.8545	2.1831	1.7833	3.5623	3.8565		2.8271	3.0627	3.9080	2.4237
H10	2.8536	2.1745	2.7741	1.0968	2.1744	3.8421	2.4231	3.0627	2.8271		3.0681	1.7768	2.4578
H11	2.8536	2.7741	2.1745	2.1744	1.0968	2.4231	3.8421	2.8271	3.0627	3.0681		2.4578	1.7768
H12	3.3172	2.1996	3.3542	1.0944	2.2116	4.1976	2.7659	2.4237	3.9080	1.7768	2.4578		2.7316
H13	3.3172	3.3542	2.1996	2.2116	1.0944	2.7659	4.1976	3.9080	2.4237	2.4578	1.7768	2.7316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	106.415	O1	C2	H6	30.813
O1	C2	H7	108.544	O1	C3	C5	106.415
O1	C3	H8	38.876	O1	C3	H9	109.226
C2	O1	C3	109.393	C2	C4	C5	101.514
C2	C4	H10	110.517	C2	C4	H11	95.339
C3	C5	C4	101.514	C3	C5	H12	126.305
C3	C5	H13	112.679	C4	C2	H6	82.143
C4	C2	H7	113.278	C4	C5	H12	27.011
C4	C5	H13	113.400	C5	C3	H8	69.660
C5	C3	H9	110.883	C5	C4	H10	110.264
C5	C4	H11	28.242	H6	C2	H7	137.239
H8	C3	H9	134.849	H10	C4	H11	136.879
H12	C5	H13	106.476

All results from a given calculation for C₄H₈O (Furan, tetrahydro-)

using model chemistry: B97D3/TZVP

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	O	-0.255
2	C	-0.077
3	C	-0.077
4	C	-0.230
5	C	-0.230
6	H	0.105
7	H	0.105
8	H	0.088
9	H	0.088
10	H	0.117
11	H	0.117
12	H	0.125
13	H	0.125

	x	y	z
x	6.886	0.056	0.000
y	0.056	8.347	0.000
z	0.000	0.000	7.310

<r²>	105.107
(<r²>)^1/2	10.252

All results from a given calculation for C4H8O (Furan, tetrahydro-)

using model chemistry: B97D3/TZVP

States and conformations

All results from a given calculation for C₄H₈O (Furan, tetrahydro-)