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	hartrees
Energy at 0K	-5185.996174
Energy at 298.15K
HF Energy	-5185.870431
Nuclear repulsion energy	335.912363

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'	3234	3097	1.11	107.71	0.26	0.41
2	A'	632	605	10.89	5.86	0.44	0.61
3	A'	471	451	22.25	11.71	0.05	0.10
4	A'	186	179	0.06	4.48	0.54	0.70
5	A"	1177	1127	57.81	2.39	0.75	0.86
6	A"	771	739	133.46	1.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.840	0.000
H2	-0.527	1.791	0.000
Br3	0.007	-0.098	1.622
Br4	0.007	-0.098	-1.622

	C1	H2	Br3	Br4
C1		1.0913	1.8733	1.8733
H2	1.0913		2.5464	2.5464
Br3	1.8733	2.5464		3.2442
Br4	1.8733	2.5464	3.2442

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.864		H2	C1	Br4	115.864
Br3	C1	Br4	119.968

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

using model chemistry: B2PLYP/cc-pVDZ

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	-0.185
2	H	0.111
3	Br	0.037
4	Br	0.037

	x	y	z	Total
	-0.504	0.581	0.000	0.769
CHELPG
AIM
ESP

	x	y	z
x	3.269	-0.204	0.001
y	-0.204	4.746	0.003
z	0.001	0.003	9.392

<r²>	218.556
(<r²>)^1/2	14.784

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

using model chemistry: B2PLYP/cc-pVDZ

States and conformations

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