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	hartrees
Energy at 0K	-5127.330603
Energy at 298.15K
HF Energy	-5127.271536
Nuclear repulsion energy	332.145580

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'	3466	3081	1.10	40.72	0.31	0.48
2	A'	698	621	13.94	4.55	0.37	0.54
3	A'	548	487	3.61	5.58	0.13	0.23
4	A'	202	180	0.54	2.73	0.61	0.76
5	A"	1366	1214	92.26	6.85	0.75	0.86
6	A"	936	832	77.87	3.43	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.829	0.000
H2	-0.551	1.783	0.000
Br3	0.007	-0.097	1.645
Br4	0.007	-0.097	-1.645

	C1	H2	Br3	Br4
C1		1.1052	1.8875	1.8875
H2	1.1052		2.5592	2.5592
Br3	1.8875	2.5592		3.2898
Br4	1.8875	2.5592	3.2898

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.036		H2	C1	Br4	115.036
Br3	C1	Br4	121.258

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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