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	hartrees
Energy at 0K	-5186.997857
Energy at 298.15K
HF Energy	-5186.997857
Nuclear repulsion energy	331.237589

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'	3132	3125	0.58	109.31	0.28	0.43
2	A'	598	596	11.93	4.67	0.48	0.65
3	A'	425	423	23.56	17.41	0.07	0.13
4	A'	176	176	0.06	6.03	0.52	0.68
5	A"	1145	1142	51.91	1.24	0.75	0.86
6	A"	690	688	164.20	3.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.842	0.000
H2	-0.534	1.784	0.000
Br3	0.007	-0.098	1.648
Br4	0.007	-0.098	-1.648

	C1	H2	Br3	Br4
C1		1.0865	1.8970	1.8970
H2	1.0865		2.5592	2.5592
Br3	1.8970	2.5592		3.2959
Br4	1.8970	2.5592	3.2959

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.437		H2	C1	Br4	115.437
Br3	C1	Br4	120.617

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

using model chemistry: BLYP/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	-0.211
2	H	0.179
3	Br	0.016
4	Br	0.016

	x	y	z	Total
	-0.532	0.530	0.000	0.751
CHELPG
AIM
ESP

	x	y	z
x	4.166	-0.112	0.000
y	-0.112	5.555	0.000
z	0.000	0.000	11.300

<r²>	224.848
(<r²>)^1/2	14.995

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

using model chemistry: BLYP/TZVP

States and conformations

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