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	hartrees
Energy at 0K	-2607.930632
Energy at 298.15K	-2607.934464
HF Energy	-2607.930632
Nuclear repulsion energy	81.587877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3126	3079	1.21
2	A'	1340	1320	8.50
3	A'	738	727	14.07
4	A'	286	282	108.91
5	A"	3282	3233	2.63
6	A"	919	905	3.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.464	0.000
Br2	0.000	-0.364	0.000
H3	-0.001	1.972	0.963
H4	-0.001	1.972	-0.963

	C1	Br2	H3	H4
C1		1.8271	1.0894	1.0894
Br2	1.8271		2.5264	2.5264
H3	1.0894	2.5264		1.9270
H4	1.0894	2.5264	1.9270

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.818		Br2	C1	H4	117.818
H3	C1	H4	124.363

All results from a given calculation for CH₂Br (bromomethyl radical)

using model chemistry: LSDA/6-31+G**

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	C	-0.348
2	Br	-0.055
3	H	0.202
4	H	0.202

	x	y	z	Total
	-0.002	0.755	0.000	0.755
CHELPG
AIM
ESP

<r²>	42.438
(<r²>)^1/2	6.514

All results from a given calculation for CH2Br (bromomethyl radical)

using model chemistry: LSDA/6-31+G**

States and conformations

All results from a given calculation for CH₂Br (bromomethyl radical)