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	hartrees
Energy at 0K	-5162.823978
Energy at 298.15K
HF Energy	-5162.823978
Nuclear repulsion energy	338.435257

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'	3264	3100	0.66	92.12	0.28	0.44
2	A'	633	601	5.60	5.89	0.22	0.36
3	A'	294	280	50.10	6.09	0.15	0.26
4	A'	184	175	1.02	3.10	0.58	0.74
5	A"	1218	1157	55.28	2.81	0.75	0.86
6	A"	820	779	110.63	1.33	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.829	0.000
H2	-0.353	1.849	0.000
Br3	0.005	-0.097	1.610
Br4	0.005	-0.097	-1.610

	C1	H2	Br3	Br4
C1		1.0803	1.8576	1.8576
H2	1.0803		2.5509	2.5509
Br3	1.8576	2.5509		3.2198
Br4	1.8576	2.5509	3.2198

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	118.082		H2	C1	Br4	118.082
Br3	C1	Br4	120.139

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

using model chemistry: mPW1PW91/3-21G*

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	-0.335
2	H	0.278
3	Br	0.028
4	Br	0.028

	x	y	z	Total
	-0.407	0.589	0.000	0.716
CHELPG
AIM
ESP

	x	y	z
x	3.251	-0.150	0.000
y	-0.150	4.666	0.000
z	0.000	0.000	8.950

<r²>	215.185
(<r²>)^1/2	14.669

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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