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	hartrees
Energy at 0K	-7676.836144
Energy at 298.15K
HF Energy	-7676.836144
Nuclear repulsion energy	777.323042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	333	294	0.02	10.70	0.10	0.18
2	A₁	238	211	0.04	0.18	0.12	0.21
3	E	914	807	168.06	0.47	0.75	0.86
3	E	913	807	168.15	0.47	0.75	0.86
4	E	171	151	0.38	2.74	0.75	0.86
4	E	171	151	0.38	2.74	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.266
Br2	0.000	1.869	-0.015
Br3	1.618	-0.934	-0.015
Br4	-1.618	-0.934	-0.015

	C1	Br2	Br3	Br4
C1		1.8895	1.8895	1.8895
Br2	1.8895		3.2364	3.2364
Br3	1.8895	3.2364		3.2364
Br4	1.8895	3.2364	3.2364

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Br2	C1	Br3	117.830		Br2	C1	Br4	117.830
Br3	C1	Br4	117.830

All results from a given calculation for CBr₃ (tribromomethyl radical)

using model chemistry: B1B95/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	-0.197
2	Br	0.066
3	Br	0.066
4	Br	0.066

	x	y	z	Total
	0.000	0.000	-0.194	0.194
CHELPG
AIM
ESP

<r²>	401.093
(<r²>)^1/2	20.027

All results from a given calculation for CBr3 (tribromomethyl radical)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for CBr₃ (tribromomethyl radical)