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	hartrees
Energy at 0K	-3612.234624
Energy at 298.15K	-3612.238157
HF Energy	-3611.584239
Nuclear repulsion energy	520.277991

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'	1103	1046	109.31	1.49	0.71	0.83
2	A'	788	747	248.15	2.78	0.75	0.86
3	A'	478	453	3.46	9.20	0.02	0.04
4	A'	328	311	0.27	4.44	0.61	0.76
5	A'	302	286	0.25	5.46	0.31	0.47
6	A'	221	210	0.02	3.38	0.66	0.80
7	A"	777	737	240.80	2.92	0.75	0.86
8	A"	370	351	0.02	4.15	0.75	0.86
9	A"	210	199	0.01	3.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	0.147	0.000
Br2	-1.411	0.298	0.000
F3	1.075	1.420	0.000
Cl4	1.075	-0.708	1.466
Cl5	1.075	-0.708	-1.466

	C1	Br2	F3	Cl4	Cl5
C1		1.9410	1.3876	1.7845	1.7845
Br2	1.9410		2.7279	3.0565	3.0565
F3	1.3876	2.7279		2.5847	2.5847
Cl4	1.7845	3.0565	2.5847		2.9321
Cl5	1.7845	3.0565	2.5847	2.9321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	108.942	Br2	C1	Cl4	110.186
Br2	C1	Cl5	110.186	F3	C1	Cl4	108.498
F3	C1	Cl5	108.498	Cl4	C1	Cl5	110.480

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: MP2=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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)