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	hartrees
Energy at 0K	-5183.161843
Energy at 298.15K
HF Energy	-5183.161843
Nuclear repulsion energy	336.310540

Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
A'	3381	2910	1.87
A'	699	601	16.47
A'	585	504	7.36
A'	194	167	0.06
A"	1266	1090	77.09
A"	811	698	110.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.008	0.853	0.000
H2	-0.579	1.760	0.000
Br3	0.008	-0.098	1.618
Br4	0.008	-0.098	-1.618

	C1	H2	Br3	Br4
C1		1.0804	1.8769	1.8769
H2	1.0804		2.5331	2.5331
Br3	1.8769	2.5331		3.2358
Br4	1.8769	2.5331	3.2358

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.194		H2	C1	Br4	115.194
Br3	C1	Br4	119.088

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

using model chemistry: ROHF/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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Number	Element	Mulliken
1	C	-0.129
2	H	0.131
3	Br	-0.001
4	Br	-0.001

	x	y	z	Total
	-0.510	0.942	0.000	1.071
CHELPG
AIM
ESP

<r²>	218.055
(<r²>)^1/2	14.767

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

using model chemistry: ROHF/cc-pVDZ

States and conformations

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