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	hartrees
Energy at 0K	-8219.667701
Energy at 298.15K	-8219.676183
HF Energy	-8218.959473
Nuclear repulsion energy	1124.780517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	748	748	107.97
2	A₁	334	334	0.02
3	A₁	213	213	0.21
4	E	674	674	103.24
4	E	674	674	103.33
5	E	219	219	0.20
5	E	219	219	0.20
6	E	143	143	0.01
6	E	143	143	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.301
Cl2	0.000	0.000	2.063
Br3	0.000	1.836	-0.351
Br4	1.590	-0.918	-0.351
Br5	-1.590	-0.918	-0.351

	C1	Cl2	Br3	Br4	Br5
C1		1.7618	1.9484	1.9484	1.9484
Cl2	1.7618		3.0332	3.0332	3.0332
Br3	1.9484	3.0332		3.1796	3.1796
Br4	1.9484	3.0332	3.1796		3.1796
Br5	1.9484	3.0332	3.1796	3.1796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.574	Cl2	C1	Br4	109.574
Cl2	C1	Br5	109.574	Br3	C1	Br4	109.368
Br3	C1	Br5	109.368	Br4	C1	Br5	109.368

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP=FULL/6-311+G(3df,2p)

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: B2PLYP=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)