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	hartrees
Energy at 0K	-22.811923
Energy at 298.15K	-22.813368
HF Energy	-22.811923
Nuclear repulsion energy	17.720117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2926	2779	74.32
2	A₁	1832	1740	114.99
3	A₁	1546	1469	8.65
4	B₁	1204	1144	3.27
5	B₂	2994	2844	160.54
6	B₂	1272	1208	12.34

Atom	y (Å)	z (Å)
O1	0.000	0.678
C2	0.000	-0.531
H3	0.942	-1.121
H4	-0.942	-1.121

	O1	C2	H3	H4
O1		1.2093	2.0305	2.0305
C2	1.2093		1.1112	1.1112
H3	2.0305	1.1112		1.8838
H4	2.0305	1.1112	1.8838

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.043		O1	C2	H4	122.043
H3	C2	H4	115.914

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: mPW1PW91/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	-0.243
2	C	-0.019
3	H	0.131
4	H	0.131

	x	y	z	Total
	0.000	0.000	-2.367	2.367
CHELPG
AIM
ESP

<r²>	15.447
(<r²>)^1/2	3.930

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: mPW1PW91/CEP-121G*

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)