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	hartrees
Energy at 0K	-5741.553472
Energy at 298.15K
HF Energy	-5741.553472
Nuclear repulsion energy	719.106729

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'	996	991	188.56	2.93	0.48	0.64
2	A'	715	711	255.41	6.02	0.56	0.72
3	A'	429	427	1.08	11.64	0.03	0.05
4	A'	317	316	0.88	4.27	0.42	0.59
5	A'	249	248	0.52	8.62	0.17	0.29
6	A'	154	153	0.12	2.96	0.57	0.73
7	A"	667	663	259.05	5.18	0.75	0.86
8	A"	282	281	1.34	3.74	0.75	0.86
9	A"	188	187	0.29	3.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.137	0.539	0.000
F2	-1.275	1.290	0.000
Cl3	1.286	1.639	0.000
Br4	-0.137	-0.610	1.614
Br5	-0.137	-0.610	-1.614

	C1	F2	Cl3	Br4	Br5
C1		1.3637	1.7982	1.9819	1.9819
F2	1.3637		2.5843	2.7413	2.7413
Cl3	1.7982	2.5843		3.1129	3.1129
Br4	1.9819	2.7413	3.1129		3.2289
Br5	1.9819	2.7413	3.1129	3.2289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.863	F2	C1	Br4	108.632
F2	C1	Br5	108.632	Cl3	C1	Br4	110.782
Cl3	C1	Br5	110.782	Br4	C1	Br5	109.095

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: BLYP/6-31+G**

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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Number	Element	Mulliken
1	C	-0.156
2	F	-0.103
3	Cl	0.143
4	Br	0.058
5	Br	0.058

	x	y	z	Total
	0.381	-0.387	0.000	0.543
CHELPG
AIM
ESP

	x	y	z
x	8.617	1.257	0.000
y	1.257	10.025	0.000
z	0.000	0.000	11.954

<r²>	352.277
(<r²>)^1/2	18.769

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)