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	hartrees
Energy at 0K	-114.426379
Energy at 298.15K
HF Energy	-114.426379
Nuclear repulsion energy	31.466084

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	2891	2891	66.99	179.68	0.14	0.24
2	A₁	1853	1853	107.81	5.67	0.54	0.71
3	A₁	1533	1533	9.25	10.82	0.54	0.70
4	B₁	1207	1207	3.45	0.93	0.75	0.86
5	B₂	2948	2948	135.98	94.47	0.75	0.86
6	B₂	1268	1268	12.39	3.40	0.75	0.86

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		1.1952	2.0158	2.0158
C2	1.1952		1.1080	1.1080
H3	2.0158	1.1080		1.8771
H4	2.0158	1.1080	1.8771

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.104		O1	C2	H4	122.104
H3	C2	H4	115.792

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: HSEh1PBE/cc-pCVTZ

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	-0.267
2	C	0.165
3	H	0.051
4	H	0.051

	x	y	z	Total
	0.000	0.000	-2.270	2.270
CHELPG
AIM
ESP

<r²>	16.814
(<r²>)^1/2	4.101

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: HSEh1PBE/cc-pCVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)