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	hartrees
Energy at 0K	-5187.116619
Energy at 298.15K
HF Energy	-5187.116619
Nuclear repulsion energy	336.160533

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'	3215	3108	0.69	96.67	0.26	0.41
2	A'	615	594	6.92	5.69	0.21	0.35
3	A'	403	390	24.58	12.17	0.08	0.15
4	A'	184	178	0.10	3.69	0.49	0.66
5	A"	1178	1139	59.06	0.77	0.75	0.86
6	A"	757	732	131.57	1.50	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.006	0.827	0.000
H2	-0.464	1.797	0.000
Br3	0.006	-0.097	1.624
Br4	0.006	-0.097	-1.624

	C1	H2	Br3	Br4
C1		1.0779	1.8679	1.8679
H2	1.0779		2.5383	2.5383
Br3	1.8679	2.5383		3.2472
Br4	1.8679	2.5383	3.2472

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.426		H2	C1	Br4	116.426
Br3	C1	Br4	120.733

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

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.221
2	H	0.158
3	Br	0.032
4	Br	0.032

	x	y	z	Total
	-0.416	0.642	0.000	0.765
CHELPG
AIM
ESP

	x	y	z
x	4.612	-0.120	0.000
y	-0.120	5.899	0.000
z	0.000	0.000	10.871

<r²>	218.937
(<r²>)^1/2	14.797

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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