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	hartrees
Energy at 0K	-5186.013436
Energy at 298.15K
HF Energy	-5185.878277
Nuclear repulsion energy	336.177635

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'	3231	3231	0.99	97.42	0.21	0.35
2	A'	632	632	8.68	5.01	0.12	0.21
3	A'	464	464	18.57	13.58	0.11	0.19
4	A'	186	186	0.05	3.04	0.40	0.57
5	A"	1178	1178	57.56	0.10	0.75	0.86
6	A"	766	766	131.68	1.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.843	0.000
H2	-0.527	1.792	0.000
Br3	0.007	-0.098	1.620
Br4	0.007	-0.098	-1.620

	C1	H2	Br3	Br4
C1		1.0889	1.8735	1.8735
H2	1.0889		2.5458	2.5458
Br3	1.8735	2.5458		3.2399
Br4	1.8735	2.5458	3.2399

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.954		H2	C1	Br4	115.954
Br3	C1	Br4	119.694

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

using model chemistry: B2PLYP/aug-cc-pVDZ

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	-0.430
2	H	-0.251
3	Br	0.340
4	Br	0.340

	x	y	z	Total
	-0.445	0.662	0.000	0.798
CHELPG
AIM
ESP

	x	y	z
x	6.094	-0.063	-0.001
y	-0.063	7.015	0.002
z	-0.001	0.002	11.601

<r²>	218.642
(<r²>)^1/2	14.787

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

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

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