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	hartrees
Energy at 0K	-5183.142294
Energy at 298.15K
HF Energy	-5183.142294
Nuclear repulsion energy	336.518448

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'	3376	3067	0.91	94.93	0.26	0.42
2	A'	649	590	9.88	7.62	0.22	0.36
3	A'	503	457	18.51	10.73	0.10	0.19
4	A'	195	177	0.11	4.04	0.53	0.69
5	A"	1292	1174	87.66	1.21	0.75	0.86
6	A"	823	747	101.31	5.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.836	0.000
H2	-0.488	1.786	0.000
Br3	0.006	-0.097	1.620
Br4	0.006	-0.097	-1.620

	C1	H2	Br3	Br4
C1		1.0710	1.8696	1.8696
H2	1.0710		2.5328	2.5328
Br3	1.8696	2.5328		3.2404
Br4	1.8696	2.5328	3.2404

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.270		H2	C1	Br4	116.270
Br3	C1	Br4	120.132

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

using model chemistry: HF/6-311G**

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	-0.246
2	H	0.191
3	Br	0.028
4	Br	0.028

	x	y	z	Total
	-0.458	0.982	0.000	1.084
CHELPG
AIM
ESP

	x	y	z
x	3.331	-0.165	0.000
y	-0.165	4.673	0.000
z	0.000	0.000	8.809

<r²>	218.541
(<r²>)^1/2	14.783

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

using model chemistry: HF/6-311G**

States and conformations

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