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	hartrees
Energy at 0K	-5129.468959
Energy at 298.15K
HF Energy	-5129.446978
Nuclear repulsion energy	332.382310

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'	3438	3438	0.56	42.70	0.36	0.53
2	A'	676	676	14.61	4.90	0.31	0.47
3	A'	476	476	9.12	6.11	0.14	0.25
4	A'	200	200	0.41	2.81	0.62	0.76
5	A"	1341	1341	84.19	6.25	0.75	0.86
6	A"	910	910	96.96	2.69	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.821	0.000
H2	-0.511	1.793	0.000
Br3	0.007	-0.096	1.645
Br4	0.007	-0.096	-1.645

	C1	H2	Br3	Br4
C1		1.1014	1.8833	1.8833
H2	1.1014		2.5578	2.5578
Br3	1.8833	2.5578		3.2905
Br4	1.8833	2.5578	3.2905

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.440		H2	C1	Br4	115.440
Br3	C1	Br4	121.760

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

using model chemistry: B2PLYP/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	-0.188
2	H	0.089
3	Br	0.049
4	Br	0.049

	x	y	z	Total
	-0.383	0.654	0.000	0.758
CHELPG
AIM
ESP

	x	y	z
x	0.571	-0.165	0.001
y	-0.165	1.650	0.003
z	0.001	0.003	5.069

<r²>	221.689
(<r²>)^1/2	14.889

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

using model chemistry: B2PLYP/STO-3G

States and conformations

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