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	hartrees
Energy at 0K	-5186.270553
Energy at 298.15K
HF Energy	-5186.034161
Nuclear repulsion energy	338.513243

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'	3258	3124	1.22	91.84	0.21	0.34
2	A'	627	602	5.44	5.90	0.07	0.14
3	A'	409	392	22.18	8.59	0.11	0.20
4	A'	187	179	0.09	2.66	0.38	0.55
5	A"	1191	1142	58.76	0.14	0.75	0.86
6	A"	782	750	119.82	0.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.826	0.000
H2	-0.456	1.796	0.000
Br3	0.006	-0.096	1.611
Br4	0.006	-0.096	-1.611

	C1	H2	Br3	Br4
C1		1.0741	1.8564	1.8564
H2	1.0741		2.5275	2.5275
Br3	1.8564	2.5275		3.2223
Br4	1.8564	2.5275	3.2223

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.651		H2	C1	Br4	116.651
Br3	C1	Br4	120.429

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

using model chemistry: B2PLYP=FULLultrafine/aug-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	-0.672
2	H	0.308
3	Br	0.182
4	Br	0.182

	x	y	z	Total
	-0.380	0.642	0.000	0.746
CHELPG
AIM
ESP

	x	y	z
x	6.458	-0.045	-0.001
y	-0.045	7.310	0.002
z	-0.001	0.002	11.804

<r²>	216.263
(<r²>)^1/2	14.706

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVTZ

States and conformations

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