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	hartrees
Energy at 0K	-5182.166181
Energy at 298.15K
HF Energy	-5182.166181
Nuclear repulsion energy	339.549458

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'	3271	3097	1.77	105.30	0.25	0.40
2	A'	642	608	11.78	5.39	0.31	0.48
3	A'	464	440	19.96	8.25	0.06	0.11
4	A'	196	186	0.05	3.24	0.48	0.65
5	A"	1204	1140	59.24	3.07	0.75	0.86
6	A"	776	735	132.59	1.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.847	0.000
H2	-0.530	1.786	0.000
Br3	0.007	-0.098	1.601
Br4	0.007	-0.098	-1.601

	C1	H2	Br3	Br4
C1		1.0813	1.8594	1.8594
H2	1.0813		2.5303	2.5303
Br3	1.8594	2.5303		3.2020
Br4	1.8594	2.5303	3.2020

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.202		H2	C1	Br4	116.202
Br3	C1	Br4	118.864

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

using model chemistry: M06-2X/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	-0.181
2	H	0.237
3	Br	-0.028
4	Br	-0.028

	x	y	z	Total
	-0.502	0.729	0.000	0.885
CHELPG
AIM
ESP

	x	y	z
x	3.963	-0.199	0.000
y	-0.199	5.227	0.000
z	0.000	0.000	9.356

<r²>	213.830
(<r²>)^1/2	14.623

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

using model chemistry: M06-2X/6-31G*

States and conformations

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