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	hartrees
Energy at 0K	-231.136178
Energy at 298.15K	-231.143306
Nuclear repulsion energy	174.327358

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3283	3141	9.22
2	A	3255	3114	3.69
3	A	3135	2999	39.03
4	A	3086	2952	39.59
5	A	3066	2934	34.08
6	A	3038	2906	46.37
7	A	1712	1638	59.81
8	A	1545	1478	0.12
9	A	1521	1455	0.09
10	A	1428	1366	4.30
11	A	1338	1280	2.77
12	A	1317	1260	8.42
13	A	1261	1206	6.40
14	A	1223	1170	11.67
15	A	1186	1135	76.42
16	A	1111	1063	37.16
17	A	1083	1036	3.18
18	A	1027	982	6.92
19	A	956	915	27.76
20	A	949	908	26.59
21	A	916	877	3.08
22	A	853	816	1.20
23	A	841	805	4.34
24	A	719	688	33.40
25	A	697	667	2.73
26	A	453	434	23.13
27	A	81	77	1.44

Atom	x (Å)	y (Å)	z (Å)
H1	0.964	2.114	0.072
C2	0.528	1.124	0.039
H3	2.266	-0.216	0.016
C4	1.198	-0.028	0.007
O5	0.434	-1.153	-0.060
H6	-1.377	1.164	-1.005
H7	-1.537	1.281	0.748
C8	-0.947	0.819	-0.054
H9	-1.516	-1.226	-0.719
H10	-1.306	-1.059	1.039
C11	-0.941	-0.722	0.062

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0819	2.6696	2.1555	3.3123	2.7464	2.7215	2.3117	4.2345	4.0198	3.4161
C2	1.0819		2.1946	1.3331	2.2813	2.1729	2.1892	1.5093	3.2058	3.0220	2.3593
H3	2.6696	2.1946		1.0840	2.0592	4.0269	4.1520	3.3763	3.9830	3.8101	3.2467
C4	2.1555	1.3331	1.0840		1.3621	3.0128	3.1215	2.3074	3.0549	2.8984	2.2496
O5	3.3123	2.2813	2.0592	1.3621		3.0885	3.2343	2.4076	2.0598	2.0600	1.4458
H6	2.7464	2.1729	4.0269	3.0128	3.0885		1.7642	1.0996	2.4104	3.0211	2.2099
H7	2.7215	2.1892	4.1520	3.1215	3.2343	1.7642		1.0970	2.9044	2.3697	2.1992
C8	2.3117	1.5093	3.3763	2.3074	2.4076	1.0996	1.0970		2.2247	2.2028	1.5454
H9	4.2345	3.2058	3.9830	3.0549	2.0598	2.4104	2.9044	2.2247		1.7789	1.0933
H10	4.0198	3.0220	3.8101	2.8984	2.0600	3.0211	2.3697	2.2028	1.7789		1.0966
C11	3.4161	2.3593	3.2467	2.2496	1.4458	2.2099	2.1992	1.5454	1.0933	1.0966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.067	H1	C2	C8	125.477
C2	C4	H3	130.157	C2	C4	O5	115.648
C2	C8	H6	111.834	C2	C8	H7	113.325
C2	C8	C11	101.125	H3	C4	O5	114.191
C4	C2	C8	108.381	C4	O5	C11	106.447
O5	C11	C8	107.155	O5	C11	H9	107.618
O5	C11	H10	107.450	H6	C8	H7	106.868
H6	C8	C11	112.245	H7	C8	C11	111.542
C8	C11	H9	113.835	C8	C11	H10	111.858
H9	C11	H10	108.643

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

using model chemistry: B3PW91/6-31G*

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	ESP
1	H	0.164	0.142
2	C	-0.236	-0.347
3	H	0.176	0.142
4	C	0.121	0.018
5	O	-0.467	-0.280
6	H	0.177	-0.008
7	H	0.177	-0.019
8	C	-0.381	0.193
9	H	0.177	0.046
10	H	0.173	0.050
11	C	-0.081	0.063

	x	y	z	Total
	-0.748	0.880	0.095	1.158
CHELPG
AIM
ESP	-0.771	0.823	0.109	1.133

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	93.816
(<r²>)^1/2	9.686

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

using model chemistry: B3PW91/6-31G*

States and conformations

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