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	hartrees
Energy at 0K	-5183.242086
Energy at 298.15K
HF Energy	-5183.242086
Nuclear repulsion energy	337.454051

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'	3370	3054	0.87	89.82	0.22	0.36
2	A'	650	589	8.58	6.26	0.13	0.23
3	A'	494	448	14.35	10.33	0.11	0.20
4	A'	194	176	0.13	2.83	0.44	0.61
5	A"	1281	1161	79.29	0.13	0.75	0.86
6	A"	827	750	91.42	4.12	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.834	0.000
H2	-0.480	1.786	0.000
Br3	0.006	-0.097	1.616
Br4	0.006	-0.097	-1.616

	C1	H2	Br3	Br4
C1		1.0690	1.8644	1.8644
H2	1.0690		2.5280	2.5280
Br3	1.8644	2.5280		3.2311
Br4	1.8644	2.5280	3.2311

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.394		H2	C1	Br4	116.394
Br3	C1	Br4	120.114

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

using model chemistry: HF/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	-0.067
2	H	0.105
3	Br	-0.019
4	Br	-0.019

	x	y	z	Total
	-0.384	0.972	0.000	1.045
CHELPG
AIM
ESP

	x	y	z
x	5.063	-0.100	0.000
y	-0.100	6.007	0.000
z	0.000	0.000	9.924

<r²>	217.412
(<r²>)^1/2	14.745

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

using model chemistry: HF/Def2TZVPP

States and conformations

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