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	hartrees
Energy at 0K	-114.498970
Energy at 298.15K	-114.500418
HF Energy	-114.498970
Nuclear repulsion energy	31.492318

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	2945	2815	59.05	162.21	0.10	0.18
2	A₁	1870	1787	119.44	10.39	0.22	0.36
3	A₁	1540	1472	11.21	8.40	0.42	0.59
4	B₁	1214	1160	5.88	0.10	0.75	0.86
5	B₂	3015	2881	86.37	77.46	0.75	0.86
6	B₂	1274	1217	14.19	1.20	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.670
C2	0.000	-0.525
H3	0.938	-1.106
H4	-0.938	-1.106

	O1	C2	H3	H4
O1		1.1959	2.0088	2.0088
C2	1.1959		1.1032	1.1032
H3	2.0088	1.1032		1.8765
H4	2.0088	1.1032	1.8765

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.738		O1	C2	H4	121.738
H3	C2	H4	116.524

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: M06-2X/aug-cc-pVTZ

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	-0.459
2	C	-0.267
3	H	0.363
4	H	0.363

	x	y	z	Total
	0.000	0.000	-2.463	2.463
CHELPG
AIM
ESP

<r²>	16.859
(<r²>)^1/2	4.106

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)