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	hartrees
Energy at 0K	-114.512379
Energy at 298.15K	-114.513827
HF Energy	-114.512379
Nuclear repulsion energy	31.447339

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	2915	2781	63.37	176.93	0.17	0.28
2	A₁	1855	1769	114.68	7.06	0.42	0.59
3	A₁	1550	1479	9.50	12.17	0.60	0.75
4	B₁	1219	1163	3.14	2.07	0.75	0.86
5	B₂	2977	2841	135.30	92.94	0.75	0.86
6	B₂	1281	1222	10.19	5.15	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.672
C2	0.000	-0.525
H3	0.938	-1.112
H4	-0.938	-1.112

	O1	C2	H3	H4
O1		1.1967	2.0151	2.0151
C2	1.1967		1.1065	1.1065
H3	2.0151	1.1065		1.8764
H4	2.0151	1.1065	1.8764

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.015		O1	C2	H4	122.015
H3	C2	H4	115.971

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: mPW1PW91/TZVP

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	-0.260
2	C	0.107
3	H	0.076
4	H	0.076

	x	y	z	Total
	0.000	0.000	-2.380	2.380
CHELPG
AIM
ESP

<r²>	16.855
(<r²>)^1/2	4.106

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: mPW1PW91/TZVP

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)