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	hartrees
Energy at 0K	-8215.798968
Energy at 298.15K	-8215.807573
HF Energy	-8214.737166
Nuclear repulsion energy	1131.055241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	794	751	92.98
2	A₁	345	326	0.00
3	A₁	219	207	0.07
4	E	734	693	84.85
4	E	734	693	84.88
5	E	224	212	0.00
5	E	224	212	0.00
6	E	147	138	0.01
6	E	147	138	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.293
Cl2	0.000	0.000	2.060
Br3	0.000	1.824	-0.350
Br4	1.580	-0.912	-0.350
Br5	-1.580	-0.912	-0.350

	C1	Cl2	Br3	Br4	Br5
C1		1.7670	1.9340	1.9340	1.9340
Cl2	1.7670		3.0225	3.0225	3.0225
Br3	1.9340	3.0225		3.1590	3.1590
Br4	1.9340	3.0225	3.1590		3.1590
Br5	1.9340	3.0225	3.1590	3.1590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.428	Cl2	C1	Br4	109.428
Cl2	C1	Br5	109.428	Br3	C1	Br4	109.514
Br3	C1	Br5	109.514	Br4	C1	Br5	109.514

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: MP3/cc-pVTZ

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: MP3/cc-pVTZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)