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	hartrees
Energy at 0K	-22.766509
Energy at 298.15K	-22.767952
HF Energy	-22.766509
Nuclear repulsion energy	17.386074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2913	2838	55.55
2	A₁	1693	1650	62.45
3	A₁	1524	1485	24.70
4	B₁	1195	1164	10.50
5	B₂	3005	2929	148.55
6	B₂	1252	1220	8.31

Atom	y (Å)	z (Å)
O1	0.000	0.696
C2	0.000	-0.550
H3	0.942	-1.132
H4	-0.942	-1.132

	O1	C2	H3	H4
O1		1.2461	2.0561	2.0561
C2	1.2461		1.1069	1.1069
H3	2.0561	1.1069		1.8836
H4	2.0561	1.1069	1.8836

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.697		O1	C2	H4	121.697
H3	C2	H4	116.606

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYPultrafine/CEP-121G

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	-0.153
2	C	-0.077
3	H	0.115
4	H	0.115

	x	y	z	Total
	0.000	0.000	-2.652	2.652
CHELPG
AIM
ESP

<r²>	15.909
(<r²>)^1/2	3.989

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYPultrafine/CEP-121G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)