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	hartrees
Energy at 0K	-114.462583
Energy at 298.15K	-114.464025
HF Energy	-114.462583
Nuclear repulsion energy	31.240871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2883	2782	60.13
2	A₁	1850	1785	110.87
3	A₁	1516	1463	5.41
4	B₁	1189	1147	2.02
5	B₂	2938	2835	169.68
6	B₂	1254	1210	15.19

Atom	y (Å)	z (Å)
O1	0.000	0.676
C2	0.000	-0.526
H3	0.945	-1.127
H4	-0.945	-1.127

	O1	C2	H3	H4
O1		1.2022	2.0354	2.0354
C2	1.2022		1.1195	1.1195
H3	2.0354	1.1195		1.8896
H4	2.0354	1.1195	1.8896

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.445		O1	C2	H4	122.445
H3	C2	H4	115.110

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/cc-pVDZ

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	-0.190
2	C	0.137
3	H	0.027
4	H	0.027

	x	y	z	Total
	0.000	0.000	-2.111	2.111
CHELPG
AIM
ESP

<r²>	16.861
(<r²>)^1/2	4.106

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)