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	hartrees
Energy at 0K	-114.510330
Energy at 298.15K	-114.511775
HF Energy	-114.510330
Nuclear repulsion energy	31.453814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2881	2881	71.93
2	A₁	1838	1838	110.70
3	A₁	1529	1529	10.14
4	B₁	1201	1201	4.07
5	B₂	2937	2937	129.29
6	B₂	1266	1266	12.11

Atom	y (Å)	z (Å)
O1	0.000	0.671
C2	0.000	-0.524
H3	0.939	-1.113
H4	-0.939	-1.113

	O1	C2	H3	H4
O1		1.1958	2.0161	2.0161
C2	1.1958		1.1079	1.1079
H3	2.0161	1.1079		1.8775
H4	2.0161	1.1079	1.8775

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.078		O1	C2	H4	122.078
H3	C2	H4	115.844

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/cc-pVQZ

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	-0.306
2	C	0.238
3	H	0.034
4	H	0.034

	x	y	z	Total
	0.000	0.000	-2.307	2.307
CHELPG
AIM
ESP

<r²>	16.841
(<r²>)^1/2	4.104

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)