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	hartrees
Energy at 0K	-8213.384979
Energy at 298.15K	-8213.393379
HF Energy	-8213.384979
Nuclear repulsion energy	1117.537239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	725	696	143.87
2	A₁	327	314	0.05
3	A₁	211	203	0.19
4	E	646	620	132.66
4	E	646	620	132.58
5	E	215	207	0.26
5	E	215	207	0.26
6	E	145	139	0.02
6	E	145	139	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.313
Cl2	0.000	0.000	2.091
Br3	0.000	1.844	-0.356
Br4	1.597	-0.922	-0.356
Br5	-1.597	-0.922	-0.356

	C1	Cl2	Br3	Br4	Br5
C1		1.7777	1.9616	1.9616	1.9616
Cl2	1.7777		3.0640	3.0640	3.0640
Br3	1.9616	3.0640		3.1936	3.1936
Br4	1.9616	3.0640	3.1936		3.1936
Br5	1.9616	3.0640	3.1936	3.1936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.953	Cl2	C1	Br4	109.953
Cl2	C1	Br5	109.953	Br3	C1	Br4	108.985
Br3	C1	Br5	108.985	Br4	C1	Br5	108.985

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B3LYP/6-31G*

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	-0.167
2	Cl	0.100
3	Br	0.022
4	Br	0.022
5	Br	0.022

	x	y	z	Total
	0.000	0.000	-0.171	0.171
CHELPG
AIM
ESP

<r²>	489.371
(<r²>)^1/2	22.122

All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)