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	hartrees
Energy at 0K	-5186.165979
Energy at 298.15K
HF Energy	-5185.941253
Nuclear repulsion energy	338.080593

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'	3244	3244	0.82	94.87	0.23	0.38
2	A'	629	629	6.65	4.60	0.18	0.30
3	A'	419	419	23.13	9.82	0.08	0.15
4	A'	187	187	0.10	3.22	0.47	0.64
5	A"	1194	1194	59.04	0.33	0.75	0.86
6	A"	782	782	122.13	1.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.826	0.000
H2	-0.462	1.796	0.000
Br3	0.006	-0.096	1.613
Br4	0.006	-0.096	-1.613

	C1	H2	Br3	Br4
C1		1.0766	1.8585	1.8585
H2	1.0766		2.5302	2.5302
Br3	1.8585	2.5302		3.2266
Br4	1.8585	2.5302	3.2266

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.553		H2	C1	Br4	116.553
Br3	C1	Br4	120.466

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

using model chemistry: B2PLYP/Def2TZVPP

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	-0.173
2	H	0.135
3	Br	0.019
4	Br	0.019

	x	y	z	Total
	-0.403	0.648	0.000	0.764
CHELPG
AIM
ESP

	x	y	z
x	5.169	-0.081	0.000
y	-0.081	6.241	0.002
z	0.000	0.002	10.893

<r²>	216.650
(<r²>)^1/2	14.719

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

using model chemistry: B2PLYP/Def2TZVPP

States and conformations

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