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	hartrees
Energy at 0K	-5186.945110
Energy at 298.15K
HF Energy	-5186.945110
Nuclear repulsion energy	334.899195

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'	3214	3107	0.64	100.17	0.29	0.45
2	A'	614	594	9.08	6.04	0.37	0.54
3	A'	417	403	31.45	12.45	0.08	0.15
4	A'	185	178	0.11	4.74	0.54	0.70
5	A"	1189	1149	61.01	1.78	0.75	0.86
6	A"	749	724	146.58	1.90	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.830	0.000
H2	-0.481	1.794	0.000
Br3	0.006	-0.097	1.630
Br4	0.006	-0.097	-1.630

	C1	H2	Br3	Br4
C1		1.0804	1.8749	1.8749
H2	1.0804		2.5434	2.5434
Br3	1.8749	2.5434		3.2599
Br4	1.8749	2.5434	3.2599

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.166		H2	C1	Br4	116.166
Br3	C1	Br4	120.765

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

using model chemistry: B3LYP/6-311G**

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	-0.339
2	H	0.198
3	Br	0.071
4	Br	0.071

	x	y	z	Total
	-0.504	0.631	0.000	0.808
CHELPG
AIM
ESP

	x	y	z
x	3.440	-0.157	0.000
y	-0.157	4.932	0.000
z	0.000	0.000	10.073

<r²>	220.394
(<r²>)^1/2	14.846

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

using model chemistry: B3LYP/6-311G**

States and conformations

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