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	hartrees
Energy at 0K	-231.181199
Energy at 298.15K	-231.188436
Nuclear repulsion energy	174.694287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3299	3140	5.59
2	A	3272	3114	1.16
3	A	3160	3007	28.02
4	A	3112	2962	25.00
5	A	3075	2927	43.65
6	A	3051	2904	40.49
7	A	1703	1621	72.15
8	A	1526	1453	1.08
9	A	1502	1430	1.05
10	A	1420	1352	6.14
11	A	1339	1275	2.68
12	A	1314	1250	7.76
13	A	1256	1195	10.86
14	A	1221	1162	23.02
15	A	1182	1125	77.17
16	A	1112	1058	34.38
17	A	1080	1028	5.01
18	A	1028	979	8.80
19	A	961	915	26.72
20	A	952	906	33.18
21	A	927	883	4.30
22	A	857	816	3.31
23	A	843	802	5.68
24	A	725	690	53.28
25	A	685	652	2.06
26	A	461	438	22.87
27	A	127	121	1.27

Atom	x (Å)	y (Å)	z (Å)
H1	1.004	2.088	0.106
C2	0.547	1.110	0.055
H3	2.259	-0.260	0.025
C4	1.198	-0.053	0.011
O5	0.405	-1.156	-0.088
H6	-1.311	1.149	-1.056
H7	-1.538	1.328	0.683
C8	-0.929	0.832	-0.078
H9	-1.576	-1.220	-0.636
H10	-1.263	-0.985	1.101
C11	-0.953	-0.698	0.091

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0803	2.6636	2.1519	3.3041	2.7550	2.7148	2.3126	4.2602	3.9465	3.4045
C2	1.0803		2.1928	1.3333	2.2749	2.1655	2.1887	1.5083	3.2274	2.9605	2.3498
H3	2.6636	2.1928		1.0817	2.0621	3.9876	4.1678	3.3715	4.0083	3.7535	3.2422
C4	2.1519	1.3333	1.0817		1.3613	2.9796	3.1370	2.3050	3.0778	2.8479	2.2463
O5	3.3041	2.2749	2.0621	1.3613		3.0327	3.2464	2.3938	2.0566	2.0555	1.4440
H6	2.7550	2.1655	3.9876	2.9796	3.0327		1.7636	1.0975	2.4213	3.0357	2.2041
H7	2.7148	2.1887	4.1678	3.1370	3.2464	1.7636		1.0937	2.8699	2.3672	2.1907
C8	2.3126	1.5083	3.3715	2.3050	2.3938	1.0975	1.0937		2.2227	2.1918	1.5393
H9	4.2602	3.2274	4.0083	3.0778	2.0566	2.4213	2.8699	2.2227		1.7805	1.0904
H10	3.9465	2.9605	3.7535	2.8479	2.0555	3.0357	2.3672	2.1918	1.7805		1.0952
C11	3.4045	2.3498	3.2422	2.2463	1.4440	2.2041	2.1907	1.5393	1.0904	1.0952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.816	H1	C2	C8	125.798
C2	C4	H3	130.161	C2	C4	O5	115.169
C2	C8	H6	111.435	C2	C8	H7	113.564
C2	C8	C11	100.891	H3	C4	O5	114.660
C4	C2	C8	108.259	C4	O5	C11	106.356
O5	C11	C8	106.674	O5	C11	H9	107.656
O5	C11	H10	107.293	H6	C8	H7	107.189
H6	C8	C11	112.337	H7	C8	C11	111.491
C8	C11	H9	114.309	C8	C11	H10	111.484
H9	C11	H10	109.099

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

using model chemistry: mPW1PW91/6-31+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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Number	Element	Mulliken
1	H	0.165
2	C	0.000
3	H	0.166
4	C	-0.135
5	O	-0.285
6	H	0.178
7	H	0.176
8	C	-0.429
9	H	0.166
10	H	0.165
11	C	-0.166

	x	y	z	Total
	-0.867	1.000	0.113	1.328
CHELPG
AIM
ESP

<r²>	93.840
(<r²>)^1/2	9.687

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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