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	hartrees
Energy at 0K	-230.560369
Energy at 298.15K	-230.567699
HF Energy	-229.803301
Nuclear repulsion energy	174.483398

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3343	3140	5.13
2	A	3318	3116	0.87
3	A	3233	3036	23.23
4	A	3188	2995	17.01
5	A	3125	2935	45.89
6	A	3113	2924	32.20
7	A	1675	1573	54.34
8	A	1558	1464	0.54
9	A	1537	1443	0.92
10	A	1432	1345	3.90
11	A	1364	1281	3.97
12	A	1335	1254	6.54
13	A	1264	1187	14.07
14	A	1231	1156	16.68
15	A	1179	1108	51.19
16	A	1115	1047	27.30
17	A	1094	1028	31.91
18	A	1034	971	4.92
19	A	969	910	10.41
20	A	960	902	39.65
21	A	898	844	6.76
22	A	870	817	12.21
23	A	838	787	7.05
24	A	718	674	51.76
25	A	660	620	1.46
26	A	453	426	24.02
27	A	194	183	1.95

Atom	x (Å)	y (Å)	z (Å)
H1	0.907	2.125	0.149
C2	0.493	1.134	0.081
H3	2.268	-0.166	0.038
C4	1.202	-0.003	0.015
O5	0.447	-1.144	-0.127
H6	-1.288	1.019	-1.134
H7	-1.636	1.286	0.576
C8	-0.962	0.785	-0.117
H9	-1.570	-1.316	-0.503
H10	-1.130	-0.948	1.186
C11	-0.922	-0.725	0.137

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0768	2.6671	2.1525	3.3127	2.7724	2.7123	2.3154	4.2903	3.8307	3.3871
C2	1.0768		2.2001	1.3410	2.2873	2.1590	2.1911	1.5093	3.2558	2.8617	2.3370
H3	2.6671	2.2001		1.0782	2.0729	3.9268	4.1994	3.3702	4.0428	3.6706	3.2403
C4	2.1525	1.3410	1.0782		1.3755	2.9266	3.1668	2.3067	3.1112	2.7754	2.2473
O5	3.3127	2.2873	2.0729	1.3755		2.9499	3.2764	2.3885	2.0593	2.0615	1.4565
H6	2.7724	2.1590	3.9268	2.9266	2.9499		1.7652	1.0931	2.4358	3.0460	2.1890
H7	2.7123	2.1911	4.1994	3.1668	3.2764	1.7652		1.0889	2.8172	2.3702	2.1779
C8	2.3154	1.5093	3.3702	2.3067	2.3885	1.0931	1.0889		2.2212	2.1750	1.5317
H9	4.2903	3.2558	4.0428	3.1112	2.0593	2.4358	2.8172	2.2212		1.7833	1.0857
H10	3.8307	2.8617	3.6706	2.7754	2.0615	3.0460	2.3702	2.1750	1.7833		1.0920
C11	3.3871	2.3370	3.2403	2.2473	1.4565	2.1890	2.1779	1.5317	1.0857	1.0920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.455	H1	C2	C8	126.286
C2	C4	H3	130.535	C2	C4	O5	114.696
C2	C8	H6	111.112	C2	C8	H7	114.011
C2	C8	C11	100.435	H3	C4	O5	114.759
C4	C2	C8	107.905	C4	O5	C11	104.999
O5	C11	C8	106.104	O5	C11	H9	107.299
O5	C11	H10	107.112	H6	C8	H7	108.003
H6	C8	C11	111.939	H7	C8	C11	111.297
C8	C11	H9	115.060	C8	C11	H10	110.879
H9	C11	H10	109.954

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: MP2=FULL/6-31+G**

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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All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)