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	hartrees
Energy at 0K	-5186.214089
Energy at 298.15K
HF Energy	-5185.941257
Nuclear repulsion energy	338.195275

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'	3246	3246	0.84	94.47	0.23	0.38
2	A'	628	628	6.27	4.69	0.17	0.29
3	A'	409	409	23.79	9.48	0.08	0.15
4	A'	187	187	0.11	3.18	0.47	0.64
5	A"	1198	1198	59.22	0.32	0.75	0.86
6	A"	784	784	121.03	1.37	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.825	0.000
H2	-0.453	1.798	0.000
Br3	0.006	-0.096	1.613
Br4	0.006	-0.096	-1.613

	C1	H2	Br3	Br4
C1		1.0757	1.8575	1.8575
H2	1.0757		2.5298	2.5298
Br3	1.8575	2.5298		3.2259
Br4	1.8575	2.5298	3.2259

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.650		H2	C1	Br4	116.650
Br3	C1	Br4	120.532

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

States and conformations

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