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	hartrees
Energy at 0K	-114.511060
Energy at 298.15K	-114.512505
HF Energy	-114.511060
Nuclear repulsion energy	31.278374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	2884	2783	61.59	152.13	0.16	0.28
2	A₁	1829	1765	94.98	3.64	0.32	0.49
3	A₁	1550	1496	7.22	13.43	0.59	0.74
4	B₁	1199	1157	2.27	1.67	0.75	0.86
5	B₂	2929	2827	158.47	80.22	0.75	0.86
6	B₂	1271	1227	13.04	5.56	0.75	0.86

Atom	y (Å)	z (Å)
O1	0.000	0.676
C2	0.000	-0.527
H3	0.938	-1.123
H4	-0.938	-1.123

	O1	C2	H3	H4
O1		1.2036	2.0284	2.0284
C2	1.2036		1.1104	1.1104
H3	2.0284	1.1104		1.8751
H4	2.0284	1.1104	1.8751

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	C2	H3	122.405		O1	C2	H4	122.405
H3	C2	H4	115.191

All results from a given calculation for H₂CO (Formaldehyde)

using model chemistry: TPSSh/6-31G(2df,p)

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	-0.193
2	C	-0.036
3	H	0.115
4	H	0.115

	x	y	z	Total
	0.000	0.000	-2.103	2.103
CHELPG
AIM
ESP

<r²>	16.801
(<r²>)^1/2	4.099

All results from a given calculation for H2CO (Formaldehyde)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for H₂CO (Formaldehyde)