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	hartrees
Energy at 0K	-5187.565655
Energy at 298.15K
HF Energy	-5187.565655
Nuclear repulsion energy	338.812917

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'	3243	3109	0.95	97.68	0.29	0.45
2	A'	633	606	7.87	6.15	0.33	0.50
3	A'	409	392	36.47	9.30	0.07	0.14
4	A'	188	180	0.19	4.22	0.57	0.72
5	A"	1211	1161	59.98	1.88	0.75	0.86
6	A"	790	757	141.83	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.821	0.000
H2	-0.464	1.792	0.000
Br3	0.006	-0.096	1.610
Br4	0.006	-0.096	-1.610

	C1	H2	Br3	Br4
C1		1.0791	1.8531	1.8531
H2	1.0791		2.5258	2.5258
Br3	1.8531	2.5258		3.2208
Br4	1.8531	2.5258	3.2208

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.449		H2	C1	Br4	116.449
Br3	C1	Br4	120.697

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

using model chemistry: B1B95/6-311G*

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	-0.475
2	H	0.297
3	Br	0.089
4	Br	0.089

	x	y	z	Total
	-0.501	0.617	0.000	0.795
CHELPG
AIM
ESP

	x	y	z
x	3.410	-0.147	0.000
y	-0.147	4.871	0.000
z	0.000	0.000	9.833

<r²>	215.629
(<r²>)^1/2	14.684

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

using model chemistry: B1B95/6-311G*

States and conformations

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