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	hartrees
Energy at 0K	-3626.854761
Energy at 298.15K	-3626.858441
HF Energy	-3626.116758
Nuclear repulsion energy	525.228102

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'	1131	1066	168.25	0.95	0.73	0.84
2	A'	821	773	258.61	3.83	0.62	0.77
3	A'	515	486	3.21	7.56	0.01	0.03
4	A'	347	327	0.02	3.58	0.65	0.79
5	A'	312	294	0.10	5.49	0.27	0.42
6	A'	229	216	0.12	3.37	0.62	0.76
7	A"	887	836	241.52	1.40	0.75	0.86
8	A"	401	378	0.24	3.04	0.75	0.86
9	A"	215	202	0.00	2.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.535	0.120	0.000
Br2	-1.403	0.321	0.000
F3	1.067	1.363	0.000
Cl4	1.067	-0.712	1.452
Cl5	1.067	-0.712	-1.452

	C1	Br2	F3	Cl4	Cl5
C1		1.9477	1.3524	1.7560	1.7560
Br2	1.9477		2.6807	3.0454	3.0454
F3	1.3524	2.6807		2.5329	2.5329
Cl4	1.7560	3.0454	2.5329		2.9031
Cl5	1.7560	3.0454	2.5329	2.9031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.265	Br2	C1	Cl4	110.515
Br2	C1	Cl5	110.515	F3	C1	Cl4	108.451
F3	C1	Cl5	108.451	Cl4	C1	Cl5	111.504

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: MP2=FULL/6-31G*

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=FULL/6-31G*

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)