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	hartrees
Energy at 0K	-5185.870377
Energy at 298.15K	-5185.865457
HF Energy	-5186.387715
Nuclear repulsion energy	336.350301

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'	3229	3116	0.70	83.66	0.28	0.44
2	A'	631	609	5.37	5.86	0.12	0.22
3	A'	360	347	23.43	8.03	0.12	0.21
4	A'	190	183	0.15	2.75	0.42	0.59
5	A"	1196	1154	52.09	1.21	0.75	0.86
6	A"	805	776	110.34	0.93	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.005	0.821	0.000
H2	-0.410	1.819	0.000
Br3	0.005	-0.096	1.602
Br4	0.005	-0.096	-1.602

	C1	H2	Br3	Br4
C1		1.0809	1.8462	1.8462
H2	1.0809		2.5313	2.5313
Br3	1.8462	2.5313		3.2049
Br4	1.8462	2.5313	3.2049

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H2	C1	Br3	116.058		H2	C1	Br4	116.058
Br3	C1	Br4	120.441

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

using model chemistry: G4

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	-0.374
2	H	0.170
3	Br	0.102
4	Br	0.102

	x	y	z	Total
	-0.342	0.663	0.000	0.746
CHELPG
AIM
ESP

<r²>	213.668
(<r²>)^1/2	14.617

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

using model chemistry: G4

States and conformations

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