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	hartrees
Energy at 0K	-22.747849
Energy at 298.15K	-22.749277
HF Energy	-22.747849
Nuclear repulsion energy	17.196685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2866	2866	89.55
2	A₁	1642	1642	50.80
3	A₁	1481	1481	14.34
4	B₁	1143	1143	21.10
5	B₂	2946	2946	189.11
6	B₂	1211	1211	4.06

Atom	y (Å)	z (Å)
O1	0.000	0.703
C2	0.000	-0.555
H3	0.954	-1.147
H4	-0.954	-1.147

	O1	C2	H3	H4
O1		1.2573	2.0818	2.0818
C2	1.2573		1.1235	1.1235
H3	2.0818	1.1235		1.9086
H4	2.0818	1.1235	1.9086

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.849		O1	C2	H4	121.849
H3	C2	H4	116.303

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/CEP-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
1	O	-0.083
2	C	-0.265
3	H	0.174
4	H	0.174

	x	y	z	Total
	0.000	0.000	-2.749	2.749
CHELPG
AIM
ESP

<r²>	15.991
(<r²>)^1/2	3.999

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBEultrafine/CEP-31G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)