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	hartrees
Energy at 0K	-5186.020429
Energy at 298.15K
HF Energy	-5185.878284
Nuclear repulsion energy	336.303954

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'	3233	3110	1.00	97.27	0.21	0.35
2	A'	631	607	8.45	5.11	0.11	0.20
3	A'	460	443	18.87	13.37	0.11	0.19
4	A'	186	179	0.05	3.01	0.40	0.57
5	A"	1177	1132	57.49	0.10	0.75	0.86
6	A"	766	737	131.28	1.31	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.843	0.000
H2	-0.525	1.792	0.000
Br3	0.007	-0.098	1.619
Br4	0.007	-0.098	-1.619

	C1	H2	Br3	Br4
C1		1.0886	1.8727	1.8727
H2	1.0886		2.5453	2.5453
Br3	1.8727	2.5453		3.2387
Br4	1.8727	2.5453	3.2387

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.985		H2	C1	Br4	115.985
Br3	C1	Br4	119.700

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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=FULL/aug-cc-pVDZ

States and conformations

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