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	hartrees
Energy at 0K	-8212.709601
Energy at 298.15K	-8212.718177
HF Energy	-8212.709601
Nuclear repulsion energy	1142.919444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	758	726	112.95
2	A₁	348	333	0.00
3	A₁	223	213	0.11
4	E	718	687	102.74
4	E	718	687	102.70
5	E	224	214	0.01
5	E	224	214	0.01
6	E	148	141	0.01
6	E	148	141	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.287
Cl2	0.000	0.000	2.053
Br3	0.000	1.801	-0.349
Br4	1.560	-0.901	-0.349
Br5	-1.560	-0.901	-0.349

	C1	Cl2	Br3	Br4	Br5
C1		1.7670	1.9102	1.9102	1.9102
Cl2	1.7670		3.0027	3.0027	3.0027
Br3	1.9102	3.0027		3.1202	3.1202
Br4	1.9102	3.0027	3.1202		3.1202
Br5	1.9102	3.0027	3.1202	3.1202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.428	Cl2	C1	Br4	109.428
Cl2	C1	Br5	109.428	Br3	C1	Br4	109.515
Br3	C1	Br5	109.515	Br4	C1	Br5	109.515

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: PBE1PBE/6-31G(2df,p)

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	-0.472
2	Cl	0.004
3	Br	0.156
4	Br	0.156
5	Br	0.156

	x	y	z	Total
	0.000	0.000	-0.222	0.222
CHELPG
AIM
ESP

<r²>	469.684
(<r²>)^1/2	21.672

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: PBE1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)