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	hartrees
Energy at 0K	-113.947056
Energy at 298.15K	-113.948488
HF Energy	-113.947056
Nuclear repulsion energy	31.363095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2792	2792	71.12
2	A₁	1820	1820	107.53
3	A₁	1466	1466	8.38
4	B₁	1146	1146	7.11
5	B₂	2844	2844	116.77
6	B₂	1218	1218	8.23

Atom	y (Å)	z (Å)
O1	0.000	0.672
C2	0.000	-0.524
H3	0.950	-1.116
H4	-0.950	-1.116

	O1	C2	H3	H4
O1		1.1964	2.0251	2.0251
C2	1.1964		1.1193	1.1193
H3	2.0251	1.1193		1.8997
H4	2.0251	1.1193	1.8997

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.938		O1	C2	H4	121.938
H3	C2	H4	116.124

All results from a given calculation for H₂CO (Formaldehyde)

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

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	-0.437
2	C	0.264
3	H	0.087
4	H	0.087

	x	y	z	Total
	0.000	0.000	-2.285	2.285
CHELPG
AIM
ESP

<r²>	17.054
(<r²>)^1/2	4.130

All results from a given calculation for H2CO (Formaldehyde)

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

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)