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	hartrees
Energy at 0K	-113.948241
Energy at 298.15K	-113.949675
HF Energy	-113.948241
Nuclear repulsion energy	31.333386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2780	2749	68.53
2	A₁	1820	1800	103.11
3	A₁	1468	1452	7.28
4	B₁	1149	1136	4.40
5	B₂	2828	2797	145.81
6	B₂	1219	1206	9.13

Atom	y (Å)	z (Å)
O1	0.000	0.673
C2	0.000	-0.524
H3	0.949	-1.120
H4	-0.949	-1.120

	O1	C2	H3	H4
O1		1.1973	2.0287	2.0287
C2	1.1973		1.1205	1.1205
H3	2.0287	1.1205		1.8983
H4	2.0287	1.1205	1.8983

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.107		O1	C2	H4	122.107
H3	C2	H4	115.785

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: LSDA/cc-pVTZ

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	-0.191
2	C	0.109
3	H	0.041
4	H	0.041

	x	y	z	Total
	0.000	0.000	-2.159	2.159
CHELPG
AIM
ESP

<r²>	17.008
(<r²>)^1/2	4.124

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)