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	hartrees
Energy at 0K	-8219.439249
Energy at 298.15K
HF Energy	-8219.052000
Nuclear repulsion energy	1118.312470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	736	736	130.23
2	A₁	328	328	0.02
3	A₁	211	211	0.21
4	E	669	669	126.33
4	E	669	669	126.33
5	E	216	216	0.17
5	E	216	216	0.17
6	E	140	140	0.02
6	E	140	140	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.302
Cl2	0.000	0.000	2.083
Br3	0.000	1.845	-0.354
Br4	1.597	-0.922	-0.354
Br5	-1.597	-0.922	-0.354

	C1	Cl2	Br3	Br4	Br5
C1		1.7807	1.9580	1.9580	1.9580
Cl2	1.7807		3.0567	3.0567	3.0567
Br3	1.9580	3.0567		3.1948	3.1948
Br4	1.9580	3.0567	3.1948		3.1948
Br5	1.9580	3.0567	3.1948	3.1948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.597	Cl2	C1	Br4	109.597
Cl2	C1	Br5	109.597	Br3	C1	Br4	109.345
Br3	C1	Br5	109.345	Br4	C1	Br5	109.345

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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=FULLultrafine/TZVP

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)