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	hartrees
Energy at 0K	-5189.529259
Energy at 298.15K
HF Energy	-5189.529259
Nuclear repulsion energy	335.339449

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'	3150	3109	0.44	93.48	0.23	0.37
2	A'	612	604	8.40	4.71	0.10	0.18
3	A'	429	423	18.25	15.67	0.11	0.19
4	A'	181	179	0.05	3.65	0.38	0.55
5	A"	1149	1135	50.42	0.14	0.75	0.86
6	A"	720	710	143.03	1.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.834	0.000
H2	-0.524	1.779	0.000
Br3	0.007	-0.097	1.627
Br4	0.007	-0.097	-1.627

	C1	H2	Br3	Br4
C1		1.0836	1.8744	1.8744
H2	1.0836		2.5390	2.5390
Br3	1.8744	2.5390		3.2535
Br4	1.8744	2.5390	3.2535

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.664		H2	C1	Br4	115.664
Br3	C1	Br4	120.430

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

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.237
2	H	0.180
3	Br	0.029
4	Br	0.029

	x	y	z	Total
	-0.431	0.594	0.000	0.734
CHELPG
AIM
ESP

	x	y	z
x	6.440	-0.052	0.000
y	-0.052	7.313	0.000
z	0.000	0.000	12.338

<r²>	219.608
(<r²>)^1/2	14.819

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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