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	hartrees
Energy at 0K	-3987.202167
Energy at 298.15K	-3987.205486
HF Energy	-3986.351972
Nuclear repulsion energy	622.922167

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	785	742	121.26
2	A₁	438	414	0.05
3	A₁	261	247	0.01
4	E	809	764	129.32
4	E	809	764	129.32
5	E	304	288	0.02
5	E	304	288	0.02
6	E	198	187	0.01
6	E	198	187	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.397
Br2	0.000	0.000	1.513
Cl3	0.000	1.665	-0.992
Cl4	1.442	-0.832	-0.992
Cl5	-1.442	-0.832	-0.992

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9103	1.7679	1.7679	1.7679
Br2	1.9103		3.0076	3.0076	3.0076
Cl3	1.7679	3.0076		2.8838	2.8838
Cl4	1.7679	3.0076	2.8838		2.8838
Cl5	1.7679	3.0076	2.8838	2.8838

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.650	Br2	C1	Cl4	109.650
Br2	C1	Cl5	109.650	Cl3	C1	Cl4	109.292
Cl3	C1	Cl5	109.292	Cl4	C1	Cl5	109.292

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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