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	hartrees
Energy at 0K	-8175.342143
Energy at 298.15K	-8175.350504
HF Energy	-8175.059197
Nuclear repulsion energy	1085.652593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	667	649	84.26
2	A₁	299	291	0.22
3	A₁	208	202	0.02
4	E	696	677	76.99
4	E	696	677	76.99
5	E	207	201	0.24
5	E	207	201	0.24
6	E	139	135	0.03
6	E	139	135	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.256
Cl2	0.000	0.000	2.162
Br3	0.000	1.898	-0.365
Br4	1.644	-0.949	-0.365
Br5	-1.644	-0.949	-0.365

	C1	Cl2	Br3	Br4	Br5
C1		1.9057	1.9971	1.9971	1.9971
Cl2	1.9057		3.1600	3.1600	3.1600
Br3	1.9971	3.1600		3.2879	3.2879
Br4	1.9971	3.1600	3.2879		3.2879
Br5	1.9971	3.1600	3.2879	3.2879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	108.104	Cl2	C1	Br4	108.104
Cl2	C1	Br5	108.104	Br3	C1	Br4	110.804
Br3	C1	Br5	110.804	Br4	C1	Br5	110.804

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: CCD/3-21G

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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All results from a given calculation for CBr3Cl (tribromochloromethane)

using model chemistry: CCD/3-21G

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)