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	hartrees
Energy at 0K	-5739.858499
Energy at 298.15K
HF Energy	-5739.732624
Nuclear repulsion energy	712.386484

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'	1041	1041	160.41	1.46	0.70	0.83
2	A'	726	726	244.28	4.89	0.64	0.78
3	A'	415	415	2.79	10.74	0.05	0.10
4	A'	319	319	0.30	5.58	0.68	0.81
5	A'	254	254	0.01	11.43	0.28	0.44
6	A'	156	156	0.01	5.72	0.69	0.82
7	A"	709	709	240.29	3.45	0.75	0.86
8	A"	289	289	0.09	5.05	0.75	0.86
9	A"	186	186	0.00	5.79	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.137	0.507	0.000
F2	-1.300	1.278	0.000
Cl3	1.303	1.664	0.000
Br4	-0.137	-0.612	1.632
Br5	-0.137	-0.612	-1.632

	C1	F2	Cl3	Br4	Br5
C1		1.3950	1.8475	1.9788	1.9788
F2	1.3950		2.6316	2.7544	2.7544
Cl3	1.8475	2.6316		3.1493	3.1493
Br4	1.9788	2.7544	3.1493		3.2638
Br5	1.9788	2.7544	3.1493	3.2638

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	107.687	F2	C1	Br4	108.210
F2	C1	Br5	108.210	Cl3	C1	Br4	110.741
Cl3	C1	Br5	110.741	Br4	C1	Br5	111.118

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP=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 CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B2PLYP=FULL/6-31G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)