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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3212	3138
2	A'	1432	1399
3	A'	694	678
4	A'	396	387
5	A"	3362	3285
6	A"	955	933

	hartrees
Energy at 0K	-2611.671420
Energy at 298.15K
HF Energy	-2611.372642
Nuclear repulsion energy	80.099484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3226	3152
2	A₁	1430	1397
3	A₁	698	682
4	B₁	293i	286i
5	B₂	3381	3303
6	B₂	944	922

Atom	y (Å)	z (Å)
C1	0.000	-1.496
Br2	0.000	0.371
H3	0.964	-2.003
H4	-0.964	-2.003

	C1	Br2	H3	H4
C1		1.8664	1.0895	1.0895
Br2	1.8664		2.5622	2.5622
H3	1.0895	2.5622		1.9282
H4	1.0895	2.5622	1.9282

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

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

	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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	H3	117.760		Br2	C1	H4	117.760
H3	C1	H4	124.480

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

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C2V)

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