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	hartrees
Energy at 0K	-5130.237135
Energy at 298.15K
HF Energy	-5130.237135
Nuclear repulsion energy	335.407561

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'	3475	3475	0.76	40.58	0.38	0.55
2	A'	694	694	16.16	4.49	0.31	0.48
3	A'	455	455	12.40	3.55	0.08	0.15
4	A'	211	211	0.36	2.62	0.62	0.77
5	A"	1341	1341	82.43	6.16	0.75	0.86
6	A"	931	931	103.29	2.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.814	0.000
H2	-0.483	1.796	0.000
Br3	0.006	-0.095	1.630
Br4	0.006	-0.095	-1.630

	C1	H2	Br3	Br4
C1		1.0971	1.8663	1.8663
H2	1.0971		2.5441	2.5441
Br3	1.8663	2.5441		3.2597
Br4	1.8663	2.5441	3.2597

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.857		H2	C1	Br4	115.857
Br3	C1	Br4	121.684

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

using model chemistry: M06-2X/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	-0.204
2	H	0.095
3	Br	0.054
4	Br	0.054

	x	y	z	Total
	-0.385	0.664	0.000	0.767
CHELPG
AIM
ESP

	x	y	z
x	0.597	-0.135	0.000
y	-0.135	1.682	0.000
z	0.000	0.000	5.013

<r²>	218.064
(<r²>)^1/2	14.767

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

using model chemistry: M06-2X/STO-3G

States and conformations

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