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	hartrees
Energy at 0K	-5132.798483
Energy at 298.15K
HF Energy	-5132.798483
Nuclear repulsion energy	330.240738

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'	3305	3305	1.25	45.78	0.39	0.56
2	A'	668	668	16.03	4.56	0.41	0.58
3	A'	469	469	9.37	10.19	0.10	0.18
4	A'	196	196	0.25	3.21	0.61	0.76
5	A"	1292	1292	66.23	5.83	0.75	0.86
6	A"	853	853	115.13	2.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	0.831	0.000
H2	-0.582	1.771	0.000
Br3	0.008	-0.097	1.655
Br4	0.008	-0.097	-1.655

	C1	H2	Br3	Br4
C1		1.1091	1.8976	1.8976
H2	1.1091		2.5642	2.5642
Br3	1.8976	2.5642		3.3106
Br4	1.8976	2.5642	3.3106

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	114.472		H2	C1	Br4	114.472
Br3	C1	Br4	121.452

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

using model chemistry: B97D3/STO-3G

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	-0.195
2	H	0.090
3	Br	0.052
4	Br	0.052

	x	y	z	Total
	-0.467	0.513	0.000	0.694
CHELPG
AIM
ESP

	x	y	z
x	0.650	-0.164	0.000
y	-0.164	1.747	0.000
z	0.000	0.000	5.620

<r²>	224.041
(<r²>)^1/2	14.968

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

using model chemistry: B97D3/STO-3G

States and conformations

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