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	hartrees
Energy at 0K	-114.559669
Energy at 298.15K	-114.561115
HF Energy	-114.559669
Nuclear repulsion energy	31.427433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2878	2878	71.01
2	A₁	1821	1821	110.65
3	A₁	1535	1535	10.91
4	B₁	1203	1203	3.71
5	B₂	2933	2933	129.55
6	B₂	1269	1269	12.36

Atom	y (Å)	z (Å)
O1	0.000	0.672
C2	0.000	-0.526
H3	0.937	-1.112
H4	-0.937	-1.112

	O1	C2	H3	H4
O1		1.1979	2.0160	2.0160
C2	1.1979		1.1060	1.1060
H3	2.0160	1.1060		1.8748
H4	2.0160	1.1060	1.8748

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.048		O1	C2	H4	122.048
H3	C2	H4	115.903

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3LYPultrafine/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	-0.313
2	C	0.288
3	H	0.012
4	H	0.012

	x	y	z	Total
	0.000	0.000	-2.337	2.337
CHELPG
AIM
ESP

<r²>	16.932
(<r²>)^1/2	4.115

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3LYPultrafine/cc-pVQZ

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)