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	hartrees
Energy at 0K	-3629.396970
Energy at 298.15K	-3629.400600
HF Energy	-3629.062136
Nuclear repulsion energy	527.405374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1132	1132	151.33	1.49	0.57	0.73
2	A'	807	807	238.68	3.32	0.71	0.83
3	A'	504	504	1.82	10.72	0.01	0.02
4	A'	345	345	0.01	2.29	0.75	0.86
5	A'	310	310	0.05	5.30	0.19	0.32
6	A'	219	219	0.01	2.44	0.63	0.77
7	A"	819	819	231.29	3.35	0.75	0.86
8	A"	394	394	0.09	2.71	0.75	0.86
9	A"	206	206	0.02	2.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	0.138	0.000
Br2	-1.388	0.329	0.000
F3	1.058	1.352	0.000
Cl4	1.058	-0.720	1.455
Cl5	1.058	-0.720	-1.455

	C1	Br2	F3	Cl4	Cl5
C1		1.9126	1.3304	1.7741	1.7741
Br2	1.9126		2.6518	3.0334	3.0334
F3	1.3304	2.6518		2.5319	2.5319
Cl4	1.7741	3.0334	2.5319		2.9094
Cl5	1.7741	3.0334	2.5319	2.9094

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.374	Br2	C1	Cl4	110.676
Br2	C1	Cl5	110.676	F3	C1	Cl4	108.439
F3	C1	Cl5	108.439	Cl4	C1	Cl5	110.160

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)