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	hartrees
Energy at 0K	-5180.695436
Energy at 298.15K
HF Energy	-5180.644002
Nuclear repulsion energy	330.005763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3304	3304	0.72	109.00	0.27	0.42
2	A'	584	584	17.04	8.42	0.45	0.62
3	A'	372	372	46.29	10.14	0.05	0.10
4	A'	179	179	0.06	6.90	0.58	0.74
5	A"	1207	1207	66.43	5.32	0.75	0.86
6	A"	723	723	127.78	3.11	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.858	0.000
H2	-0.433	1.844	0.000
Br3	0.006	-0.100	1.651
Br4	0.006	-0.100	-1.651

	C1	H2	Br3	Br4
C1		1.0793	1.9088	1.9088
H2	1.0793		2.5879	2.5879
Br3	1.9088	2.5879		3.3021
Br4	1.9088	2.5879	3.3021

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.289		H2	C1	Br4	117.289
Br3	C1	Br4	119.759

All results from a given calculation for CHBr₂ (dibromomethyl radical)

using model chemistry: B2PLYP/6-31G

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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Number	Element	Mulliken
1	C	-0.542
2	H	0.235
3	Br	0.154
4	Br	0.154

	x	y	z	Total
	-0.583	0.815	0.000	1.002
CHELPG
AIM
ESP

	x	y	z
x	1.747	-0.210	0.001
y	-0.210	3.678	0.003
z	0.001	0.003	8.847

<r²>	225.903
(<r²>)^1/2	15.030

All results from a given calculation for CHBr2 (dibromomethyl radical)

using model chemistry: B2PLYP/6-31G

States and conformations

All results from a given calculation for CHBr₂ (dibromomethyl radical)