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	hartrees
Energy at 0K	-3614.515738
Energy at 298.15K	-3614.519211
HF Energy	-3614.300040
Nuclear repulsion energy	519.607137

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'	1101	1101	121.01	1.48	0.72	0.84
2	A'	766	766	255.35	3.37	0.75	0.86
3	A'	470	470	4.08	11.59	0.02	0.04
4	A'	323	323	0.11	4.91	0.61	0.76
5	A'	296	296	0.19	6.39	0.29	0.45
6	A'	216	216	0.01	3.76	0.65	0.79
7	A"	748	748	255.74	4.06	0.75	0.86
8	A"	363	363	0.09	4.76	0.75	0.86
9	A"	205	205	0.02	3.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	0.150	0.000
Br2	-1.412	0.303	0.000
F3	1.076	1.414	0.000
Cl4	1.076	-0.712	1.470
Cl5	1.076	-0.712	-1.470

	C1	Br2	F3	Cl4	Cl5
C1		1.9418	1.3796	1.7915	1.7915
Br2	1.9418		2.7251	3.0631	3.0631
F3	1.3796	2.7251		2.5847	2.5847
Cl4	1.7915	3.0631	2.5847		2.9407
Cl5	1.7915	3.0631	2.5847	2.9407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	109.088	Br2	C1	Cl4	110.203
Br2	C1	Cl5	110.203	F3	C1	Cl4	108.491
F3	C1	Cl5	108.491	Cl4	C1	Cl5	110.316

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)