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	hartrees
Energy at 0K	-5181.054999
Energy at 298.15K
HF Energy	-5180.924475
Nuclear repulsion energy	337.165762

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'	3268	3101	1.34	95.82	0.27	0.43
2	A'	635	602	12.48	5.02	0.41	0.58
3	A'	481	456	19.25	12.56	0.07	0.14
4	A'	190	180	0.03	3.60	0.47	0.64
5	A"	1208	1146	59.78	2.78	0.75	0.86
6	A"	754	716	131.17	1.73	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.852	0.000
H2	-0.539	1.786	0.000
Br3	0.007	-0.099	1.613
Br4	0.007	-0.099	-1.613

	C1	H2	Br3	Br4
C1		1.0814	1.8723	1.8723
H2	1.0814		2.5396	2.5396
Br3	1.8723	2.5396		3.2261
Br4	1.8723	2.5396	3.2261

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.995		H2	C1	Br4	115.995
Br3	C1	Br4	118.974

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

using model chemistry: B2PLYP=FULLultrafine/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	-0.165
2	H	0.223
3	Br	-0.029
4	Br	-0.029

	x	y	z	Total
	-0.515	0.689	0.000	0.860
CHELPG
AIM
ESP

	x	y	z
x	3.923	-0.207	0.001
y	-0.207	5.171	0.003
z	0.001	0.003	9.523

<r²>	216.598
(<r²>)^1/2	14.717

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

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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