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	hartrees
Energy at 0K	-5176.260883
Energy at 298.15K
HF Energy	-5176.260883
Nuclear repulsion energy	342.295346

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'	3181	3133	3.30	100.42	0.26	0.42
2	A'	622	612	2.98	7.03	0.08	0.15
3	A'	295	290	43.05	7.79	0.10	0.19
4	A'	183	181	1.32	2.58	0.64	0.78
5	A"	1150	1133	43.29	0.84	0.75	0.86
6	A"	795	784	131.39	1.40	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.814	0.000
H2	-0.378	1.835	0.000
Br3	0.005	-0.096	1.592
Br4	0.005	-0.096	-1.592

	C1	H2	Br3	Br4
C1		1.0911	1.8338	1.8338
H2	1.0911		2.5322	2.5322
Br3	1.8338	2.5322		3.1845
Br4	1.8338	2.5322	3.1845

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	117.674		H2	C1	Br4	117.674
Br3	C1	Br4	120.518

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

using model chemistry: SVWN/6-31+G**

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	-0.207
2	H	0.217
3	Br	-0.005
4	Br	-0.005

	x	y	z	Total
	-0.398	0.572	0.000	0.697
CHELPG
AIM
ESP

	x	y	z
x	5.206	-0.027	0.000
y	-0.027	6.209	0.000
z	0.000	0.000	11.117

<r²>	211.778
(<r²>)^1/2	14.553

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

using model chemistry: SVWN/6-31+G**

States and conformations

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