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	hartrees
Energy at 0K	-3627.381630
Energy at 298.15K	-3627.385378
HF Energy	-3626.317378
Nuclear repulsion energy	531.541898

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1176	1107	141.27
2	A'	867	816	202.67
3	A'	522	491	1.15
4	A'	357	336	0.30
5	A'	322	303	0.11
6	A'	228	215	0.01
7	A"	880	829	200.22
8	A"	407	383	0.12
9	A"	214	202	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.507	0.134	0.000
Br2	-1.376	0.324	0.000
F3	1.049	1.347	0.000
Cl4	1.049	-0.714	1.444
Cl5	1.049	-0.714	-1.444

	C1	Br2	F3	Cl4	Cl5
C1		1.8924	1.3286	1.7605	1.7605
Br2	1.8924		2.6327	3.0076	3.0076
F3	1.3286	2.6327		2.5163	2.5163
Cl4	1.7605	3.0076	2.5163		2.8883
Cl5	1.7605	3.0076	2.5163	2.8883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.372	Br2	C1	Cl4	110.794
Br2	C1	Cl5	110.794	F3	C1	Cl4	108.280
F3	C1	Cl5	108.280	Cl4	C1	Cl5	110.229

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

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

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)