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	hartrees
Energy at 0K	-5183.598282
Energy at 298.15K
HF Energy	-5183.174583
Nuclear repulsion energy	338.033089

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'	3251	3151	1.06	95.66	0.19	0.32
2	A'	656	635	11.01	3.67	0.19	0.31
3	A'	506	491	14.95	9.52	0.06	0.12
4	A'	190	185	0.04	2.60	0.41	0.58
5	A"	1191	1155	58.02	0.19	0.75	0.86
6	A"	793	768	123.30	0.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.847	0.000
H2	-0.559	1.780	0.000
Br3	0.007	-0.098	1.609
Br4	0.007	-0.098	-1.609

	C1	H2	Br3	Br4
C1		1.0906	1.8663	1.8663
H2	1.0906		2.5367	2.5367
Br3	1.8663	2.5367		3.2182
Br4	1.8663	2.5367	3.2182

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.659		H2	C1	Br4	115.659
Br3	C1	Br4	119.130

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

using model chemistry: MP2=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: MP2=FULL/aug-cc-pVDZ

States and conformations

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