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	hartrees
Energy at 0K	-5183.335273
Energy at 298.15K
HF Energy	-5183.335273
Nuclear repulsion energy	337.331765

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'	3366	3065	1.11	84.20	0.20	0.34
2	A'	651	592	8.42	7.60	0.07	0.13
3	A'	501	457	13.42	11.05	0.13	0.23
4	A'	194	176	0.12	2.46	0.35	0.52
5	A"	1279	1165	79.72	0.10	0.75	0.86
6	A"	826	752	91.18	3.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.836	0.000
H2	-0.486	1.785	0.000
Br3	0.006	-0.097	1.616
Br4	0.006	-0.097	-1.616

	C1	H2	Br3	Br4
C1		1.0690	1.8657	1.8657
H2	1.0690		2.5286	2.5286
Br3	1.8657	2.5286		3.2317
Br4	1.8657	2.5286	3.2317

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.343		H2	C1	Br4	116.343
Br3	C1	Br4	120.011

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

using model chemistry: HF/aug-cc-pVTZ

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	-0.562
2	H	0.362
3	Br	0.100
4	Br	0.100

	x	y	z	Total
	-0.380	0.957	0.000	1.030
CHELPG
AIM
ESP

	x	y	z
x	6.180	-0.077	0.000
y	-0.077	6.914	0.000
z	0.000	0.000	10.663

<r²>	217.567
(<r²>)^1/2	14.750

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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