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	hartrees
Energy at 0K	-5186.895208
Energy at 298.15K
HF Energy	-5186.895208
Nuclear repulsion energy	337.217227

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'	3204	3103	0.72	99.28	0.25	0.40
2	A'	623	603	8.35	5.38	0.25	0.40
3	A'	433	420	21.65	12.61	0.07	0.14
4	A'	182	176	0.08	3.73	0.49	0.66
5	A"	1173	1136	58.69	0.85	0.75	0.86
6	A"	762	738	134.39	1.59	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.831	0.000
H2	-0.495	1.788	0.000
Br3	0.007	-0.097	1.617
Br4	0.007	-0.097	-1.617

	C1	H2	Br3	Br4
C1		1.0803	1.8643	1.8643
H2	1.0803		2.5334	2.5334
Br3	1.8643	2.5334		3.2341
Br4	1.8643	2.5334	3.2341

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.155		H2	C1	Br4	116.155
Br3	C1	Br4	120.317

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.174
2	H	0.140
3	Br	0.017
4	Br	0.017

	x	y	z	Total
	-0.438	0.671	0.000	0.801
CHELPG
AIM
ESP

	x	y	z
x	4.640	-0.128	0.000
y	-0.128	5.916	0.000
z	0.000	0.000	10.832

<r²>	217.338
(<r²>)^1/2	14.742

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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