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	hartrees
Energy at 0K	-3612.225394
Energy at 298.15K	-3612.228942
HF Energy	-3611.584290
Nuclear repulsion energy	519.859504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1122	1073	96.83
2	A'	799	765	209.42
3	A'	480	459	2.35
4	A'	327	313	0.51
5	A'	302	288	0.54
6	A'	221	212	0.01
7	A"	797	762	206.02
8	A"	371	355	0.32
9	A"	209	200	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	0.142	0.000
Br2	-1.413	0.302	0.000
F3	1.077	1.413	0.000
Cl4	1.077	-0.710	1.467
Cl5	1.077	-0.710	-1.467

	C1	Br2	F3	Cl4	Cl5
C1		1.9449	1.3857	1.7844	1.7844
Br2	1.9449		2.7265	3.0625	3.0625
F3	1.3857	2.7265		2.5812	2.5812
Cl4	1.7844	3.0625	2.5812		2.9348
Cl5	1.7844	3.0625	2.5812	2.9348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.726	Br2	C1	Cl4	110.336
Br2	C1	Cl5	110.336	F3	C1	Cl4	108.365
F3	C1	Cl5	108.365	Cl4	C1	Cl5	110.643

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: CCD/3-21G*

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 CBrCl2F (bromodichlorofluoromethane)

using model chemistry: CCD/3-21G*

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)