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	hartrees
Energy at 0K	-8215.150168
Energy at 298.15K	-8215.158726
HF Energy	-8214.476523
Nuclear repulsion energy	1121.243397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	776	739	117.86
2	A₁	339	323	0.04
3	A₁	218	208	0.10
4	E	704	670	111.34
4	E	704	670	111.34
5	E	224	213	0.06
5	E	224	213	0.06
6	E	147	140	0.01
6	E	147	140	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.299
Cl2	0.000	0.000	2.077
Br3	0.000	1.840	-0.353
Br4	1.593	-0.920	-0.353
Br5	-1.593	-0.920	-0.353

	C1	Cl2	Br3	Br4	Br5
C1		1.7776	1.9523	1.9523	1.9523
Cl2	1.7776		3.0482	3.0482	3.0482
Br3	1.9523	3.0482		3.1869	3.1869
Br4	1.9523	3.0482	3.1869		3.1869
Br5	1.9523	3.0482	3.1869	3.1869

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.531	Cl2	C1	Br4	109.531
Cl2	C1	Br5	109.531	Br3	C1	Br4	109.411
Br3	C1	Br5	109.411	Br4	C1	Br5	109.411

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: MP2/cc-pVDZ

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: MP2/cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)