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	hartrees
Energy at 0K	-3986.839918
Energy at 298.15K	-3986.843248
HF Energy	-3986.152361
Nuclear repulsion energy	616.756634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	758	715	129.66
2	A₁	439	415	0.65
3	A₁	257	243	0.03
4	E	840	793	128.88
4	E	840	793	128.88
5	E	310	293	0.02
5	E	310	293	0.02
6	E	203	191	0.00
6	E	203	191	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.429
Br2	0.000	0.000	1.536
Cl3	0.000	1.674	-1.004
Cl4	1.450	-0.837	-1.004
Cl5	-1.450	-0.837	-1.004

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9653	1.7701	1.7701	1.7701
Br2	1.9653		3.0418	3.0418	3.0418
Cl3	1.7701	3.0418		2.9001	2.9001
Cl4	1.7701	3.0418	2.9001		2.9001
Cl5	1.7701	3.0418	2.9001	2.9001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	108.927	Br2	C1	Cl4	108.927
Br2	C1	Cl5	108.927	Cl3	C1	Cl4	110.010
Cl3	C1	Cl5	110.010	Cl4	C1	Cl5	110.010

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

using model chemistry: CCSD/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: CCSD/6-31G*

States and conformations

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