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	hartrees
Energy at 0K	-22.736719
Energy at 298.15K	-22.738164
HF Energy	-22.736719
Nuclear repulsion energy	17.448923

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2948	2948	53.96
2	A₁	1729	1729	71.47
3	A₁	1539	1539	19.68
4	B₁	1205	1205	10.38
5	B₂	3044	3044	136.74
6	B₂	1263	1263	8.32

Atom	y (Å)	z (Å)
O1	0.000	0.693
C2	0.000	-0.547
H3	0.941	-1.129
H4	-0.941	-1.129

	O1	C2	H3	H4
O1		1.2396	2.0503	2.0503
C2	1.2396		1.1067	1.1067
H3	2.0503	1.1067		1.8828
H4	2.0503	1.1067	1.8828

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.717		O1	C2	H4	121.717
H3	C2	H4	116.567

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: PBE1PBE/CEP-121G

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	-0.166
2	C	-0.091
3	H	0.128
4	H	0.128

	x	y	z	Total
	0.000	0.000	-2.670	2.670
CHELPG
AIM
ESP

<r²>	15.805
(<r²>)^1/2	3.976

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: PBE1PBE/CEP-121G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)