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	hartrees
Energy at 0K	-8215.198662
Energy at 298.15K	-8215.207247
HF Energy	-8214.476495
Nuclear repulsion energy	1120.688061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	789	742	107.36
2	A₁	341	321	0.01
3	A₁	219	206	0.06
4	E	718	676	98.10
4	E	718	676	98.10
5	E	224	211	0.01
5	E	224	211	0.01
6	E	148	139	0.01
6	E	148	139	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.298
Cl2	0.000	0.000	2.077
Br3	0.000	1.841	-0.353
Br4	1.595	-0.921	-0.353
Br5	-1.595	-0.921	-0.353

	C1	Cl2	Br3	Br4	Br5
C1		1.7788	1.9530	1.9530	1.9530
Cl2	1.7788		3.0487	3.0487	3.0487
Br3	1.9530	3.0487		3.1891	3.1891
Br4	1.9530	3.0487	3.1891		3.1891
Br5	1.9530	3.0487	3.1891	3.1891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.477	Cl2	C1	Br4	109.477
Cl2	C1	Br5	109.477	Br3	C1	Br4	109.465
Br3	C1	Br5	109.465	Br4	C1	Br5	109.465

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)