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	hartrees
Energy at 0K	-22.797914
Energy at 298.15K	-22.799357
HF Energy	-22.797914
Nuclear repulsion energy	17.636305

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	2968	2968	87.96	153.93	0.19	0.31
2	A₁	1851	1851	124.28	8.89	0.17	0.29
3	A₁	1543	1543	7.38	14.26	0.67	0.80
4	B₁	1202	1202	7.64	0.22	0.75	0.86
5	B₂	3035	3035	168.12	74.13	0.75	0.86
6	B₂	1270	1270	12.17	4.99	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.682
C2	0.000	-0.535
H3	0.946	-1.123
H4	-0.946	-1.123

	O1	C2	H3	H4
O1		1.2163	2.0377	2.0377
C2	1.2163		1.1143	1.1143
H3	2.0377	1.1143		1.8928
H4	2.0377	1.1143	1.8928

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.865		O1	C2	H4	121.865
H3	C2	H4	116.269

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: wB97X-D/CEP-31G*

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	-0.095
2	C	-0.231
3	H	0.163
4	H	0.163

	x	y	z	Total
	0.000	0.000	-2.574	2.574
CHELPG
AIM
ESP

<r²>	15.400
(<r²>)^1/2	3.924

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)