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	hartrees
Energy at 0K	-5187.099166
Energy at 298.15K
HF Energy	-5187.099166
Nuclear repulsion energy	332.562533

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'	3129	3119	0.58	98.92	0.23	0.37
2	A'	602	600	8.58	4.69	0.12	0.22
3	A'	428	426	17.89	17.68	0.12	0.21
4	A'	176	175	0.04	3.92	0.36	0.53
5	A"	1136	1133	50.60	0.13	0.75	0.86
6	A"	701	699	144.78	1.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.841	0.000
H2	-0.532	1.782	0.000
Br3	0.007	-0.098	1.641
Br4	0.007	-0.098	-1.641

	C1	H2	Br3	Br4
C1		1.0847	1.8902	1.8902
H2	1.0847		2.5528	2.5528
Br3	1.8902	2.5528		3.2815
Br4	1.8902	2.5528	3.2815

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.529		H2	C1	Br4	115.529
Br3	C1	Br4	120.459

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

using model chemistry: BLYP/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	-0.630
2	H	0.231
3	Br	0.200
4	Br	0.200

	x	y	z	Total
	-0.437	0.542	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	6.817	-0.052	0.000
y	-0.052	7.756	0.000
z	0.000	0.000	13.010

<r²>	223.293
(<r²>)^1/2	14.943

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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