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	hartrees
Energy at 0K	-8216.028272
Energy at 298.15K	-8216.036893
HF Energy	-8214.738367
Nuclear repulsion energy	1140.871024

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	785	747	89.46
2	A₁	348	331	0.00
3	A₁	223	212	0.14
4	E	731	695	84.38
4	E	731	695	84.38
5	E	227	216	0.03
5	E	227	216	0.03
6	E	148	141	0.01
6	E	148	141	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.289
Cl2	0.000	0.000	2.045
Br3	0.000	1.808	-0.348
Br4	1.565	-0.904	-0.348
Br5	-1.565	-0.904	-0.348

	C1	Cl2	Br3	Br4	Br5
C1		1.7562	1.9163	1.9163	1.9163
Cl2	1.7562		2.9987	2.9987	2.9987
Br3	1.9163	2.9987		3.1307	3.1307
Br4	1.9163	2.9987	3.1307		3.1307
Br5	1.9163	2.9987	3.1307	3.1307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.399	Cl2	C1	Br4	109.399
Cl2	C1	Br5	109.399	Br3	C1	Br4	109.544
Br3	C1	Br5	109.544	Br4	C1	Br5	109.544

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)