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	hartrees
Energy at 0K	-5182.081089
Energy at 298.15K
HF Energy	-5182.081089
Nuclear repulsion energy	339.074711

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'	3268	3100	1.22	95.66	0.28	0.44
2	A'	633	600	8.40	5.64	0.25	0.40
3	A'	420	398	28.05	8.99	0.10	0.18
4	A'	193	183	0.09	3.12	0.49	0.66
5	A"	1209	1146	60.58	2.43	0.75	0.86
6	A"	786	745	121.22	1.42	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.840	0.000
H2	-0.480	1.807	0.000
Br3	0.006	-0.098	1.605
Br4	0.006	-0.098	-1.605

	C1	H2	Br3	Br4
C1		1.0821	1.8586	1.8586
H2	1.0821		2.5374	2.5374
Br3	1.8586	2.5374		3.2097
Br4	1.8586	2.5374	3.2097

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.787		H2	C1	Br4	116.787
Br3	C1	Br4	119.417

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

using model chemistry: wB97X-D/6-31G*

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	-0.192
2	H	0.240
3	Br	-0.024
4	Br	-0.024

	x	y	z	Total
	-0.473	0.701	0.000	0.846
CHELPG
AIM
ESP

	x	y	z
x	3.954	-0.184	0.000
y	-0.184	5.206	0.000
z	0.000	0.000	9.452

<r²>	214.406
(<r²>)^1/2	14.643

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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