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	hartrees
Energy at 0K	-3986.719072
Energy at 298.15K	-3986.722509
HF Energy	-3986.152635
Nuclear repulsion energy	620.413032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	799	738	135.24
2	A₁	456	421	0.54
3	A₁	267	247	0.00
4	E	877	810	132.88
4	E	877	810	132.88
5	E	320	296	0.04
5	E	320	296	0.04
6	E	210	194	0.00
6	E	210	194	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.422
Br2	0.000	0.000	1.526
Cl3	0.000	1.665	-0.997
Cl4	1.442	-0.833	-0.997
Cl5	-1.442	-0.833	-0.997

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9481	1.7620	1.7620	1.7620
Br2	1.9481		3.0234	3.0234	3.0234
Cl3	1.7620	3.0234		2.8847	2.8847
Cl4	1.7620	3.0234	2.8847		2.8847
Cl5	1.7620	3.0234	2.8847	2.8847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.055	Br2	C1	Cl4	109.055
Br2	C1	Cl5	109.055	Cl3	C1	Cl4	109.884
Cl3	C1	Cl5	109.884	Cl4	C1	Cl5	109.884

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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