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	hartrees
Energy at 0K	-5187.015872
Energy at 298.15K
HF Energy	-5187.015872
Nuclear repulsion energy	334.972827

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'	3221	3103	0.75	102.38	0.27	0.43
2	A'	609	587	8.27	5.12	0.33	0.49
3	A'	404	389	28.78	10.49	0.06	0.12
4	A'	184	177	0.11	4.75	0.54	0.70
5	A"	1187	1144	60.54	0.93	0.75	0.86
6	A"	744	717	146.96	2.72	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.828	0.000
H2	-0.468	1.798	0.000
Br3	0.006	-0.097	1.630
Br4	0.006	-0.097	-1.630

	C1	H2	Br3	Br4
C1		1.0793	1.8741	1.8741
H2	1.0793		2.5438	2.5438
Br3	1.8741	2.5438		3.2596
Br4	1.8741	2.5438	3.2596

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.327		H2	C1	Br4	116.327
Br3	C1	Br4	120.837

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

using model chemistry: B3LYPultrafine/TZVP

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	-0.203
2	H	0.185
3	Br	0.009
4	Br	0.009

	x	y	z	Total
	-0.466	0.635	0.000	0.788
CHELPG
AIM
ESP

<r²>	220.419
(<r²>)^1/2	14.847

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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