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	hartrees
Energy at 0K	-5163.130307
Energy at 298.15K
HF Energy	-5163.130307
Nuclear repulsion energy	339.396782

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'	3263	3122	0.66	92.30	0.29	0.45
2	A'	635	608	5.81	6.22	0.22	0.36
3	A'	301	288	51.34	6.24	0.15	0.26
4	A'	184	176	0.90	3.17	0.58	0.73
5	A"	1216	1164	54.68	2.76	0.75	0.86
6	A"	821	785	115.80	1.41	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.829	0.000
H2	-0.361	1.844	0.000
Br3	0.005	-0.097	1.605
Br4	0.005	-0.097	-1.605

	C1	H2	Br3	Br4
C1		1.0791	1.8531	1.8531
H2	1.0791		2.5455	2.5455
Br3	1.8531	2.5455		3.2097
Br4	1.8531	2.5455	3.2097

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	118.060		H2	C1	Br4	118.060
Br3	C1	Br4	120.003

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

using model chemistry: B1B95/3-21G

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	-0.332
2	H	0.272
3	Br	0.030
4	Br	0.030

	x	y	z	Total
	-0.420	0.538	0.000	0.682
CHELPG
AIM
ESP

	x	y	z
x	3.248	-0.157	0.000
y	-0.157	4.672	0.000
z	0.000	0.000	9.025

<r²>	213.953
(<r²>)^1/2	14.627

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

using model chemistry: B1B95/3-21G

States and conformations

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