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	hartrees
Energy at 0K	-114.453971
Energy at 298.15K	-114.455414
HF Energy	-114.453971
Nuclear repulsion energy	31.262064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2927	2800	58.67
2	A₁	1864	1784	101.09
3	A₁	1561	1493	5.57
4	B₁	1197	1146	2.03
5	B₂	2979	2850	166.16
6	B₂	1278	1223	11.84

Atom	y (Å)	z (Å)
O1	0.000	0.677
C2	0.000	-0.528
H3	0.938	-1.122
H4	-0.938	-1.122

	O1	C2	H3	H4
O1		1.2045	2.0288	2.0288
C2	1.2045		1.1105	1.1105
H3	2.0288	1.1105		1.8760
H4	2.0288	1.1105	1.8760

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.363		O1	C2	H4	122.363
H3	C2	H4	115.274

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/6-31G*

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	-0.326
2	C	0.052
3	H	0.137
4	H	0.137

	x	y	z	Total
	0.000	0.000	-2.214	2.214
CHELPG
AIM
ESP	0.000	0.000	-2.213	2.213

<r²>	16.836
(<r²>)^1/2	4.103

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)