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	hartrees
Energy at 0K	-8179.595206
Energy at 298.15K
HF Energy	-8179.499995
Nuclear repulsion energy	1091.056001

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	644	644	137.52
2	A₁	302	302	0.43
3	A₁	209	209	0.09
4	E	688	688	122.35
4	E	688	688	122.35
5	E	208	208	0.14
5	E	208	208	0.14
6	E	139	139	0.05
6	E	139	139	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.252
Cl2	0.000	0.000	2.152
Br3	0.000	1.889	-0.363
Br4	1.636	-0.944	-0.363
Br5	-1.636	-0.944	-0.363

	C1	Cl2	Br3	Br4	Br5
C1		1.8995	1.9864	1.9864	1.9864
Cl2	1.8995		3.1450	3.1450	3.1450
Br3	1.9864	3.1450		3.2714	3.2714
Br4	1.9864	3.1450	3.2714		3.2714
Br5	1.9864	3.1450	3.2714	3.2714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	108.040	Cl2	C1	Br4	108.040
Cl2	C1	Br5	108.040	Br3	C1	Br4	110.864
Br3	C1	Br5	110.864	Br4	C1	Br5	110.864

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP=FULLultrafine/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: B2PLYP=FULLultrafine/3-21G

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)