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	hartrees
Energy at 0K	-3627.377013
Energy at 298.15K	-3627.380770
HF Energy	-3626.317487
Nuclear repulsion energy	531.740382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1191	1191	144.38
2	A'	867	867	204.60
3	A'	524	524	1.18
4	A'	358	358	0.27
5	A'	323	323	0.11
6	A'	229	229	0.01
7	A"	879	879	203.70
8	A"	409	409	0.09
9	A"	215	215	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.507	0.135	0.000
Br2	-1.376	0.325	0.000
F3	1.049	1.343	0.000
Cl4	1.049	-0.714	1.444
Cl5	1.049	-0.714	-1.444

	C1	Br2	F3	Cl4	Cl5
C1		1.8928	1.3241	1.7606	1.7606
Br2	1.8928		2.6306	3.0075	3.0075
F3	1.3241	2.6306		2.5132	2.5132
Cl4	1.7606	3.0075	2.5132		2.8880
Cl5	1.7606	3.0075	2.5132	2.8880

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.420	Br2	C1	Cl4	110.767
Br2	C1	Cl5	110.767	F3	C1	Cl4	108.295
F3	C1	Cl5	108.295	Cl4	C1	Cl5	110.209

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: MP3=FULL/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 CBrCl2F (bromodichlorofluoromethane)

using model chemistry: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)