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	hartrees
Energy at 0K	-22.789013
Energy at 298.15K	-22.790446
HF Energy	-22.789013
Nuclear repulsion energy	17.527986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2796	2796	81.26
2	A₁	1749	1749	98.42
3	A₁	1493	1493	8.13
4	B₁	1150	1150	4.10
5	B₂	2849	2849	196.60
6	B₂	1226	1226	8.72

Atom	y (Å)	z (Å)
O1	0.000	0.686
C2	0.000	-0.536
H3	0.951	-1.135
H4	-0.951	-1.135

	O1	C2	H3	H4
O1		1.2221	2.0543	2.0543
C2	1.2221		1.1240	1.1240
H3	2.0543	1.1240		1.9024
H4	2.0543	1.1240	1.9024

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.190		O1	C2	H4	122.190
H3	C2	H4	115.620

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBE/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	-0.198
2	C	-0.051
3	H	0.124
4	H	0.124

	x	y	z	Total
	0.000	0.000	-2.171	2.171
CHELPG
AIM
ESP

<r²>	15.725
(<r²>)^1/2	3.965

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBE/CEP-121G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)