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	hartrees
Energy at 0K	-22.791116
Energy at 298.15K	-22.792560
HF Energy	-22.791116
Nuclear repulsion energy	17.419312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2926	2801	57.92
2	A₁	1712	1639	68.88
3	A₁	1532	1466	20.99
4	B₁	1197	1146	10.46
5	B₂	3020	2891	146.27
6	B₂	1256	1203	8.07

Atom	y (Å)	z (Å)
O1	0.000	0.694
C2	0.000	-0.548
H3	0.942	-1.131
H4	-0.942	-1.131

	O1	C2	H3	H4
O1		1.2422	2.0537	2.0537
C2	1.2422		1.1076	1.1076
H3	2.0537	1.1076		1.8837
H4	2.0537	1.1076	1.8837

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	121.752		O1	C2	H4	121.752
H3	C2	H4	116.496

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: B3PW91/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	-0.085
3	H	0.125
4	H	0.125

	x	y	z	Total
	0.000	0.000	-2.655	2.655
CHELPG
AIM
ESP

<r²>	15.817
(<r²>)^1/2	3.977

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: B3PW91/CEP-121G

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)