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	hartrees
Energy at 0K	-114.436948
Energy at 298.15K	-114.438388
HF Energy	-114.436948
Nuclear repulsion energy	30.668825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2979	2851	75.20
2	A₁	1719	1646	66.35
3	A₁	1537	1471	15.75
4	B₁	1202	1151	16.84
5	B₂	3058	2927	134.61
6	B₂	1254	1200	5.29

Atom	y (Å)	z (Å)
O1	0.000	0.692
C2	0.000	-0.546
H3	0.938	-1.131
H4	-0.938	-1.131

	O1	C2	H3	H4
O1		1.2381	2.0505	2.0505
C2	1.2381		1.1058	1.1058
H3	2.0505	1.1058		1.8765
H4	2.0505	1.1058	1.8765

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.948		O1	C2	H4	121.948
H3	C2	H4	116.103

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/LANL2DZ

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	-0.215
2	C	-0.142
3	H	0.178
4	H	0.178

	x	y	z	Total
	0.000	0.000	-2.752	2.752
CHELPG
AIM
ESP

<r²>	17.262
(<r²>)^1/2	4.155

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/LANL2DZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)