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	hartrees
Energy at 0K	-8212.949110
Energy at 298.15K	-8212.957394
HF Energy	-8212.949110
Nuclear repulsion energy	1096.434429

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	657	632	166.28
2	A₁	309	297	0.07
3	A₁	206	198	0.02
4	E	629	605	155.64
4	E	629	605	155.62
5	E	207	199	0.01
5	E	207	199	0.01
6	E	136	131	0.01
6	E	136	131	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.295
Cl2	0.000	0.000	2.149
Br3	0.000	1.876	-0.365
Br4	1.625	-0.938	-0.365
Br5	-1.625	-0.938	-0.365

	C1	Cl2	Br3	Br4	Br5
C1		1.8541	1.9886	1.9886	1.9886
Cl2	1.8541		3.1369	3.1369	3.1369
Br3	1.9886	3.1369		3.2490	3.2490
Br4	1.9886	3.1369	3.2490		3.2490
Br5	1.9886	3.1369	3.2490	3.2490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.388	Cl2	C1	Br4	109.388
Cl2	C1	Br5	109.388	Br3	C1	Br4	109.554
Br3	C1	Br5	109.554	Br4	C1	Br5	109.554

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	-0.783
2	Cl	0.155
3	Br	0.209
4	Br	0.209
5	Br	0.209

	x	y	z	Total
	0.000	0.000	-0.577	0.577
CHELPG
AIM
ESP

<r²>	507.691
(<r²>)^1/2	22.532

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)