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	hartrees
Energy at 0K	-8211.799034
Energy at 298.15K	-8211.807534
HF Energy	-8211.590628
Nuclear repulsion energy	1124.315958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	758	721	121.71
2	A₁	336	320	0.05
3	A₁	216	206	0.11
4	E	674	642	115.74
4	E	674	642	115.69
5	E	220	209	0.08
5	E	220	209	0.08
6	E	148	141	0.00
6	E	148	141	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.315
Cl2	0.000	0.000	2.082
Br3	0.000	1.832	-0.355
Br4	1.586	-0.916	-0.355
Br5	-1.586	-0.916	-0.355

	C1	Cl2	Br3	Br4	Br5
C1		1.7676	1.9502	1.9502	1.9502
Cl2	1.7676		3.0489	3.0489	3.0489
Br3	1.9502	3.0489		3.1724	3.1724
Br4	1.9502	3.0489	3.1724		3.1724
Br5	1.9502	3.0489	3.1724	3.1724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	110.088	Cl2	C1	Br4	110.088
Cl2	C1	Br5	110.088	Br3	C1	Br4	108.848
Br3	C1	Br5	108.848	Br4	C1	Br5	108.848

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP/6-31+G**

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	-0.411
2	Cl	0.193
3	Br	0.072
4	Br	0.072
5	Br	0.072

	x	y	z	Total
	0.000	0.000	-0.102	0.102
CHELPG
AIM
ESP

<r²>	485.019
(<r²>)^1/2	22.023

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)