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	hartrees
Energy at 0K	-114.424745
Energy at 298.15K	-114.426179
HF Energy	-114.424745
Nuclear repulsion energy	31.164040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2786	2786	78.29
2	A₁	1769	1769	99.75
3	A₁	1482	1482	8.39
4	B₁	1154	1154	4.04
5	B₂	2829	2829	154.29
6	B₂	1223	1223	9.41

Atom	y (Å)	z (Å)
O1	0.000	0.678
C2	0.000	-0.529
H3	0.947	-1.124
H4	-0.947	-1.124

	O1	C2	H3	H4
O1		1.2070	2.0353	2.0353
C2	1.2070		1.1179	1.1179
H3	2.0353	1.1179		1.8932
H4	2.0353	1.1179	1.8932

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.140		O1	C2	H4	122.140
H3	C2	H4	115.721

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBEPBE/cc-pVQZ

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	-0.303
2	C	0.241
3	H	0.031
4	H	0.031

	x	y	z	Total
	0.000	0.000	-2.172	2.172
CHELPG
AIM
ESP

<r²>	17.136
(<r²>)^1/2	4.140

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBEPBE/cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)