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	hartrees
Energy at 0K	-22.800305
Energy at 298.15K	-22.801743
HF Energy	-22.800305
Nuclear repulsion energy	17.566720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2924	2824	85.17
2	A₁	1813	1750	113.29
3	A₁	1529	1476	7.63
4	B₁	1185	1144	8.43
5	B₂	2991	2889	165.22
6	B₂	1253	1210	9.94

Atom	y (Å)	z (Å)
O1	0.000	0.685
C2	0.000	-0.537
H3	0.948	-1.129
H4	-0.948	-1.129

	O1	C2	H3	H4
O1		1.2214	2.0464	2.0464
C2	1.2214		1.1180	1.1180
H3	2.0464	1.1180		1.8970
H4	2.0464	1.1180	1.8970

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.964		O1	C2	H4	121.964
H3	C2	H4	116.071

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYPultrafine/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	-0.087
2	C	-0.256
3	H	0.172
4	H	0.172

	x	y	z	Total
	0.000	0.000	-2.526	2.526
CHELPG
AIM
ESP

<r²>	15.519
(<r²>)^1/2	3.939

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYPultrafine/CEP-31G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)