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	hartrees
Energy at 0K	-5187.025106
Energy at 298.15K
HF Energy	-5187.025106
Nuclear repulsion energy	336.397263

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'	3217	3097	0.75	96.04	0.24	0.39
2	A'	614	591	6.36	4.95	0.16	0.28
3	A'	395	380	23.91	10.91	0.09	0.16
4	A'	184	177	0.11	3.45	0.46	0.63
5	A"	1179	1135	57.94	0.31	0.75	0.86
6	A"	759	730	128.42	1.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.825	0.000
H2	-0.455	1.799	0.000
Br3	0.006	-0.096	1.623
Br4	0.006	-0.096	-1.623

	C1	H2	Br3	Br4
C1		1.0782	1.8660	1.8660
H2	1.0782		2.5377	2.5377
Br3	1.8660	2.5377		3.2453
Br4	1.8660	2.5377	3.2453

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.504		H2	C1	Br4	116.504
Br3	C1	Br4	120.822

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

using model chemistry: B3LYP/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	-0.177
2	H	0.148
3	Br	0.015
4	Br	0.015

	x	y	z	Total
	-0.397	0.640	0.000	0.753
CHELPG
AIM
ESP

	x	y	z
x	5.240	-0.082	0.000
y	-0.082	6.327	0.000
z	0.000	0.000	11.190

<r²>	218.718
(<r²>)^1/2	14.789

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

using model chemistry: B3LYP/Def2TZVPP

States and conformations

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