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	hartrees
Energy at 0K	-3629.841651
Energy at 298.15K	-3629.845329
HF Energy	-3628.822469
Nuclear repulsion energy	527.162559

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'	1114	1058	169.40	1.24	0.59	0.74
2	A'	820	778	240.16	4.44	0.67	0.80
3	A'	514	488	1.50	8.55	0.01	0.02
4	A'	345	328	0.03	2.62	0.73	0.85
5	A'	312	296	0.12	5.09	0.24	0.38
6	A'	221	210	0.05	2.67	0.64	0.78
7	A"	855	812	224.06	2.36	0.75	0.86
8	A"	400	380	0.01	2.70	0.75	0.86
9	A"	207	197	0.03	2.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	0.137	0.000
Br2	-1.396	0.318	0.000
F3	1.063	1.363	0.000
Cl4	1.063	-0.712	1.447
Cl5	1.063	-0.712	-1.447

	C1	Br2	F3	Cl4	Cl5
C1		1.9279	1.3394	1.7618	1.7618
Br2	1.9279		2.6712	3.0328	3.0328
F3	1.3394	2.6712		2.5295	2.5295
Cl4	1.7618	3.0328	2.5295		2.8934
Cl5	1.7618	3.0328	2.5295	2.8934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.332	Br2	C1	Cl4	110.483
Br2	C1	Cl5	110.483	F3	C1	Cl4	108.537
F3	C1	Cl5	108.537	Cl4	C1	Cl5	110.399

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: MP2/cc-pVTZ

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: MP2/cc-pVTZ

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)