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	hartrees
Energy at 0K	-114.499983
Energy at 298.15K	-114.501428
HF Energy	-114.499983
Nuclear repulsion energy	31.437312

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	2888	2765	72.01	159.86	0.12	0.22
2	A₁	1837	1759	111.87	9.99	0.25	0.40
3	A₁	1527	1462	10.51	8.55	0.45	0.62
4	B₁	1198	1147	5.97	0.12	0.75	0.86
5	B₂	2945	2819	115.85	98.90	0.75	0.86
6	B₂	1263	1209	11.15	1.58	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.672
C2	0.000	-0.525
H3	0.939	-1.112
H4	-0.939	-1.112

	O1	C2	H3	H4
O1		1.1969	2.0159	2.0159
C2	1.1969		1.1076	1.1076
H3	2.0159	1.1076		1.8789
H4	2.0159	1.1076	1.8789

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.986		O1	C2	H4	121.986
H3	C2	H4	116.028

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/6-311+G(3df,2p)

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	-0.482
2	C	0.247
3	H	0.117
4	H	0.117

	x	y	z	Total
	0.000	0.000	-2.385	2.385
CHELPG
AIM
ESP

<r²>	16.878
(<r²>)^1/2	4.108

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)