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	hartrees
Energy at 0K	-114.508559
Energy at 298.15K	-114.510005
HF Energy	-114.508559
Nuclear repulsion energy	31.545130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2906	2906	69.79
2	A₁	1857	1857	113.33
3	A₁	1537	1537	9.64
4	B₁	1207	1207	3.86
5	B₂	2967	2967	125.01
6	B₂	1272	1272	13.02

Atom	y (Å)	z (Å)
O1	0.000	0.669
C2	0.000	-0.523
H3	0.936	-1.108
H4	-0.936	-1.108

	O1	C2	H3	H4
O1		1.1927	2.0092	2.0092
C2	1.1927		1.1040	1.1040
H3	2.0092	1.1040		1.8725
H4	2.0092	1.1040	1.8725

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.001		O1	C2	H4	122.001
H3	C2	H4	115.998

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B1B95/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	-0.307
2	C	0.258
3	H	0.025
4	H	0.025

	x	y	z	Total
	0.000	0.000	-2.313	2.313
CHELPG
AIM
ESP

<r²>	16.780
(<r²>)^1/2	4.096

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B1B95/cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)