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	hartrees
Energy at 0K	-22.806519
Energy at 298.15K	-22.807961
HF Energy	-22.806519
Nuclear repulsion energy	17.658055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2890	2801	74.38
2	A₁	1790	1736	109.34
3	A₁	1537	1490	10.46
4	B₁	1194	1158	3.31
5	B₂	2954	2863	173.03
6	B₂	1263	1225	12.31

Atom	y (Å)	z (Å)
O1	0.000	0.681
C2	0.000	-0.534
H3	0.943	-1.124
H4	-0.943	-1.124

	O1	C2	H3	H4
O1		1.2148	2.0368	2.0368
C2	1.2148		1.1125	1.1125
H3	2.0368	1.1125		1.8856
H4	2.0368	1.1125	1.8856

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.066		O1	C2	H4	122.066
H3	C2	H4	115.868

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYPultrafine/CEP-121G*

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	-0.234
2	C	-0.011
3	H	0.123
4	H	0.123

	x	y	z	Total
	0.000	0.000	-2.348	2.348
CHELPG
AIM
ESP

<r²>	15.579
(<r²>)^1/2	3.947

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYPultrafine/CEP-121G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)