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	hartrees
Energy at 0K	-114.463287
Energy at 298.15K	-114.464732
HF Energy	-114.333305
Nuclear repulsion energy	31.351903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2927	2927	70.82	158.96	0.12	0.21
2	A₁	1793	1793	93.70	9.23	0.20	0.33
3	A₁	1541	1541	12.03	10.11	0.41	0.58
4	B₁	1203	1203	5.96	0.11	0.75	0.86
5	B₂	2990	2990	106.42	99.84	0.75	0.86
6	B₂	1272	1272	10.62	1.56	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.674
C2	0.000	-0.529
H3	0.936	-1.111
H4	-0.936	-1.111

	O1	C2	H3	H4
O1		1.2032	2.0162	2.0162
C2	1.2032		1.1027	1.1027
H3	2.0162	1.1027		1.8725
H4	2.0162	1.1027	1.8725

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.888		O1	C2	H4	121.888
H3	C2	H4	116.224

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B2PLYP/6-311+G(3df,2p)

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	-0.476
2	C	0.198
3	H	0.139
4	H	0.139

	x	y	z	Total
	0.000	0.000	-2.428	2.428
CHELPG
AIM
ESP

<r²>	16.997
(<r²>)^1/2	4.123

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)