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	hartrees
Energy at 0K	-3989.404239
Energy at 298.15K	-3989.407585
HF Energy	-3988.713424
Nuclear repulsion energy	617.909432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	752	714	148.58
2	A₁	437	415	0.24
3	A₁	258	245	0.30
4	E	812	772	154.85
4	E	812	772	154.85
5	E	313	297	0.11
5	E	313	297	0.11
6	E	202	192	0.00
6	E	202	192	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.419
Br2	0.000	0.000	1.534
Cl3	0.000	1.670	-1.003
Cl4	1.447	-0.835	-1.003
Cl5	-1.447	-0.835	-1.003

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9533	1.7696	1.7696	1.7696
Br2	1.9533		3.0379	3.0379	3.0379
Cl3	1.7696	3.0379		2.8932	2.8932
Cl4	1.7696	3.0379	2.8932		2.8932
Cl5	1.7696	3.0379	2.8932	2.8932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.277	Br2	C1	Cl4	109.277
Br2	C1	Cl5	109.277	Cl3	C1	Cl4	109.664
Cl3	C1	Cl5	109.664	Cl4	C1	Cl5	109.664

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)

using model chemistry: MP2/6-311G**

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 CBrCl3 (Methane, bromotrichloro-)

using model chemistry: MP2/6-311G**

States and conformations

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)