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	hartrees
Energy at 0K	-5162.542410
Energy at 298.15K
HF Energy	-5162.542410
Nuclear repulsion energy	337.663413

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'	3240	3069	1.31	93.28	0.26	0.41
2	A'	623	590	7.61	5.62	0.28	0.43
3	A'	295	279	41.12	4.83	0.09	0.16
4	A'	182	173	0.94	3.09	0.60	0.75
5	A"	1220	1156	57.18	2.97	0.75	0.86
6	A"	804	762	111.74	0.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.841	0.000
H2	-0.397	1.845	0.000
Br3	0.005	-0.098	1.612
Br4	0.005	-0.098	-1.612

	C1	H2	Br3	Br4
C1		1.0807	1.8657	1.8657
H2	1.0807		2.5563	2.5563
Br3	1.8657	2.5563		3.2233
Br4	1.8657	2.5563	3.2233

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.880		H2	C1	Br4	117.880
Br3	C1	Br4	119.498

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

using model chemistry: M06-2X/3-21G*

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	-0.324
2	H	0.266
3	Br	0.029
4	Br	0.029

	x	y	z	Total
	-0.441	0.578	0.000	0.727
CHELPG
AIM
ESP

	x	y	z
x	3.310	-0.158	0.000
y	-0.158	4.757	0.000
z	0.000	0.000	9.011

<r²>	216.037
(<r²>)^1/2	14.698

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

using model chemistry: M06-2X/3-21G*

States and conformations

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