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	hartrees
Energy at 0K	-8129.639606
Energy at 298.15K
HF Energy	-8129.599147
Nuclear repulsion energy	1102.589319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	801	801	139.13
2	A₁	349	349	0.00
3	A₁	228	228	0.21
4	E	806	806	127.00
4	E	806	806	127.00
5	E	221	221	1.42
5	E	221	221	1.42
6	E	147	147	0.01
6	E	147	147	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.245
Cl2	0.000	0.000	2.134
Br3	0.000	1.868	-0.359
Br4	1.618	-0.934	-0.359
Br5	-1.618	-0.934	-0.359

	C1	Cl2	Br3	Br4	Br5
C1		1.8882	1.9636	1.9636	1.9636
Cl2	1.8882		3.1154	3.1154	3.1154
Br3	1.9636	3.1154		3.2357	3.2357
Br4	1.9636	3.1154	3.2357		3.2357
Br5	1.9636	3.1154	3.2357	3.2357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	107.943	Cl2	C1	Br4	107.943
Cl2	C1	Br5	107.943	Br3	C1	Br4	110.956
Br3	C1	Br5	110.956	Br4	C1	Br5	110.956

All results from a given calculation for CBr₃Cl (tribromochloromethane)

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

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/STO-3G

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)