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	hartrees
Energy at 0K	-5186.139035
Energy at 298.15K
HF Energy	-5186.139035
Nuclear repulsion energy	335.164621

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'	3152	3117	0.73	106.29	0.27	0.43
2	A'	606	599	7.42	5.53	0.32	0.48
3	A'	390	386	31.35	11.25	0.06	0.12
4	A'	181	179	0.14	5.19	0.54	0.71
5	A"	1147	1134	50.33	1.28	0.75	0.86
6	A"	738	730	151.43	2.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.828	0.000
H2	-0.480	1.801	0.000
Br3	0.006	-0.097	1.629
Br4	0.006	-0.097	-1.629

	C1	H2	Br3	Br4
C1		1.0881	1.8728	1.8728
H2	1.0881		2.5478	2.5478
Br3	1.8728	2.5478		3.2570
Br4	1.8728	2.5478	3.2570

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.209		H2	C1	Br4	116.209
Br3	C1	Br4	120.819

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

using model chemistry: PBEPBE/TZVP

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	-0.227
2	H	0.191
3	Br	0.018
4	Br	0.018

	x	y	z	Total
	-0.485	0.535	0.000	0.722
CHELPG
AIM
ESP

	x	y	z
x	4.137	-0.100	0.000
y	-0.100	5.484	0.000
z	0.000	0.000	10.944

<r²>	220.044
(<r²>)^1/2	14.834

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

using model chemistry: PBEPBE/TZVP

States and conformations

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