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	hartrees
Energy at 0K	-5129.254890
Energy at 298.15K
HF Energy	-5129.254890
Nuclear repulsion energy	331.982608

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'	3332	3044	0.56	42.46	0.42	0.59
2	A'	667	609	14.51	5.10	0.30	0.46
3	A'	427	390	15.35	7.58	0.12	0.22
4	A'	198	181	0.29	3.02	0.62	0.76
5	A"	1292	1180	63.91	5.47	0.75	0.86
6	A"	879	803	118.91	2.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.007	0.817	0.000
H2	-0.528	1.786	0.000
Br3	0.007	-0.096	1.648
Br4	0.007	-0.096	-1.648

	C1	H2	Br3	Br4
C1		1.1068	1.8839	1.8839
H2	1.1068		2.5577	2.5577
Br3	1.8839	2.5577		3.2964
Br4	1.8839	2.5577	3.2964

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	115.085		H2	C1	Br4	115.085
Br3	C1	Br4	122.064

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

using model chemistry: PBEPBE/STO-3G

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	-0.224
2	H	0.096
3	Br	0.064
4	Br	0.064

	x	y	z	Total
	-0.445	0.462	0.000	0.642
CHELPG
AIM
ESP

	x	y	z
x	0.637	-0.145	0.000
y	-0.145	1.704	0.000
z	0.000	0.000	5.540

<r²>	222.180
(<r²>)^1/2	14.906

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

using model chemistry: PBEPBE/STO-3G

States and conformations

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