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	hartrees
Energy at 0K	-64.949691
Energy at 298.15K
HF Energy	-64.949691
Nuclear repulsion energy	36.430580

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'	3248	3122	1.77	113.74	0.23	0.38
2	A'	578	556	21.37	9.42	0.50	0.67
3	A'	393	378	46.06	12.36	0.03	0.05
4	A'	177	170	0.09	8.65	0.60	0.75
5	A"	1188	1142	55.62	1.46	0.75	0.86
6	A"	707	680	155.04	4.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.855	0.000
H2	-0.480	1.825	0.000
Br3	0.006	-0.099	1.684
Br4	0.006	-0.099	-1.684

	C1	H2	Br3	Br4
C1		1.0854	1.9358	1.9358
H2	1.0854		2.6033	2.6033
Br3	1.9358	2.6033		3.3687
Br4	1.9358	2.6033	3.3687

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.148		H2	C1	Br4	116.148
Br3	C1	Br4	120.943

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

using model chemistry: B3LYP/LANL2DZ

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	-0.446
2	H	0.298
3	Br	0.074
4	Br	0.074

	x	y	z	Total
	-0.690	0.765	0.000	1.030
CHELPG
AIM
ESP

	x	y	z
x	1.355	-0.174	0.000
y	-0.174	3.414	0.000
z	0.000	0.000	9.620

<r²>	70.283
(<r²>)^1/2	8.383

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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