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	hartrees
Energy at 0K	-114.454658
Energy at 298.15K	-114.456104
HF Energy	-114.454658
Nuclear repulsion energy	31.327970

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	2964	2823	56.16	160.70	0.18	0.30
2	A₁	1879	1789	123.90	10.18	0.28	0.43
3	A₁	1545	1471	5.84	13.44	0.58	0.74
4	B₁	1209	1151	5.27	1.37	0.75	0.86
5	B₂	3040	2895	111.56	95.56	0.75	0.86
6	B₂	1271	1210	13.09	3.55	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.674
C2	0.000	-0.529
H3	0.941	-1.110
H4	-0.941	-1.110

	O1	C2	H3	H4
O1		1.2035	2.0171	2.0171
C2	1.2035		1.1056	1.1056
H3	2.0171	1.1056		1.8816
H4	2.0171	1.1056	1.8816

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.686		O1	C2	H4	121.686
H3	C2	H4	116.629

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: M06-2X/6-31+G**

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	-0.318
2	C	0.076
3	H	0.121
4	H	0.121

	x	y	z	Total
	0.000	0.000	-2.535	2.535
CHELPG
AIM
ESP

<r²>	16.979
(<r²>)^1/2	4.121

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)