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	hartrees
Energy at 0K	-22.772784
Energy at 298.15K	-22.774225
HF Energy	-22.772784
Nuclear repulsion energy	17.624855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2959	2959	87.40
2	A₁	1855	1855	118.99
3	A₁	1535	1535	6.17
4	B₁	1193	1193	7.35
5	B₂	3031	3031	161.91
6	B₂	1259	1259	10.48

Atom	y (Å)	z (Å)
O1	0.000	0.682
C2	0.000	-0.534
H3	0.948	-1.125
H4	-0.948	-1.125

	O1	C2	H3	H4
O1		1.2160	2.0407	2.0407
C2	1.2160		1.1171	1.1171
H3	2.0407	1.1171		1.8957
H4	2.0407	1.1171	1.8957

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.953		O1	C2	H4	121.953
H3	C2	H4	116.094

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBE1PBE/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	-0.088
2	C	-0.249
3	H	0.168
4	H	0.168

	x	y	z	Total
	0.000	0.000	-2.506	2.506
CHELPG
AIM
ESP

<r²>	15.443
(<r²>)^1/2	3.930

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBE1PBE/CEP-31G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)