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	hartrees
Energy at 0K	-231.063408
Energy at 298.15K	-231.073625
HF Energy	-231.063408
Nuclear repulsion energy	192.287986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	2918	31.61
2	A	3212	2906	3.04
3	A	3169	2867	19.09
4	A	3149	2849	4.86
5	A	1666	1507	0.02
6	A	1624	1469	4.23
7	A	1539	1392	6.64
8	A	1463	1323	1.40
9	A	1368	1238	0.00
10	A	1306	1181	7.54
11	A	1274	1152	0.12
12	A	1108	1002	10.89
13	A	1012	915	30.04
14	A	981	887	0.21
15	A	909	822	5.21
16	A	722	653	4.24
17	A	259	234	0.02
18	B	3235	2926	89.46
19	B	3209	2903	121.38
20	B	3173	2870	27.56
21	B	3145	2845	142.79
22	B	1654	1496	0.79
23	B	1611	1457	2.83
24	B	1497	1354	0.23
25	B	1442	1304	0.08
26	B	1370	1239	7.97
27	B	1302	1178	15.07
28	B	1243	1125	151.28
29	B	1039	940	0.51
30	B	974	881	8.42
31	B	950	859	3.23
32	B	623	564	0.28
33	B	82	74	6.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.227
C2	0.000	1.162	0.433
C3	0.000	-1.162	0.433
C4	0.302	0.702	-0.989
C5	-0.302	-0.702	-0.989
H6	-0.734	-1.855	0.822
H7	0.734	1.855	0.822
H8	-0.976	1.636	0.491
H9	0.976	-1.636	0.491
H10	1.373	0.650	-1.150
H11	-1.373	-0.650	-1.150
H12	-0.120	1.357	-1.739
H13	0.120	-1.357	-1.739

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13
O1		1.4073	1.4073	2.3441	2.3441	2.0359	2.0359	2.0420	2.0420	2.8206	2.8206	3.2641	3.2641
C2	1.4073		2.3242	1.5253	2.3639	3.1296	1.0821	1.0863	2.9639	2.1569	2.7704	2.1846	3.3288
C3	1.4073	2.3242		2.3639	1.5253	1.0821	3.1296	2.9639	1.0863	2.7704	2.1569	3.3288	2.1846
C4	2.3441	1.5253	2.3639		1.5275	3.3003	2.1907	2.1671	2.8480	1.0844	2.1580	1.0815	2.1986
C5	2.3441	2.3639	1.5253	1.5275		2.1907	3.3003	2.8480	2.1671	2.1580	1.0844	2.1986	1.0815
H6	2.0359	3.1296	1.0821	3.3003	2.1907		3.9905	3.5151	1.7556	3.8218	2.3974	4.1542	2.7457
H7	2.0359	1.0821	3.1296	2.1907	3.3003	3.9905		1.7556	3.5151	2.3974	3.8218	2.7457	4.1542
H8	2.0420	1.0863	2.9639	2.1671	2.8480	3.5151	1.7556		3.8097	3.0298	2.8422	2.4054	3.8903
H9	2.0420	2.9639	1.0863	2.8480	2.1671	1.7556	3.5151	3.8097		2.8422	3.0298	3.8903	2.4054
H10	2.8206	2.1569	2.7704	1.0844	2.1580	3.8218	2.3974	3.0298	2.8422		3.0380	1.7535	2.4386
H11	2.8206	2.7704	2.1569	2.1580	1.0844	2.3974	3.8218	2.8422	3.0298	3.0380		2.4386	1.7535
H12	3.2641	2.1846	3.3288	1.0815	2.1986	4.1542	2.7457	2.4054	3.8903	1.7535	2.4386		2.7247
H13	3.2641	3.3288	2.1846	2.1986	1.0815	2.7457	4.1542	3.8903	2.4054	2.4386	1.7535	2.7247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C4	106.061	O1	C2	H6	29.977
O1	C2	H7	109.040	O1	C3	C5	106.061
O1	C3	H8	37.754	O1	C3	H9	109.277
C2	O1	C3	111.340	C2	C4	C5	101.494
C2	C4	H10	110.344	C2	C4	H11	96.032
C3	C5	C4	101.494	C3	C5	H12	125.767
C3	C5	H13	112.757	C4	C2	H6	82.602
C4	C2	H7	113.221	C4	C5	H12	26.759
C4	C5	H13	113.757	C5	C3	H8	70.621
C5	C3	H9	111.046	C5	C4	H10	110.278
C5	C4	H11	28.121	H6	C2	H7	137.063
H8	C3	H9	134.951	H10	C4	H11	136.533
H12	C5	H13	107.373

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

using model chemistry: HF/daug-cc-pVTZ

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	-0.905
2	C	-0.660
3	C	-0.660
4	C	-0.785
5	C	-0.785
6	H	0.522
7	H	0.522
8	H	0.522
9	H	0.522
10	H	0.387
11	H	0.387
12	H	0.465
13	H	0.465

	x	y	z
x	6.468	0.092	0.000
y	0.092	7.756	0.000
z	0.000	0.000	7.013

<r²>	103.180
(<r²>)^1/2	10.158

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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