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	hartrees
Energy at 0K	-5741.870603
Energy at 298.15K
HF Energy	-5741.870603
Nuclear repulsion energy	740.024565

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'	1146	1146	142.38	2.23	0.41	0.58
2	A'	818	818	206.91	4.09	0.69	0.81
3	A'	474	474	0.86	9.25	0.02	0.04
4	A'	354	354	0.00	2.46	0.46	0.63
5	A'	276	276	0.12	5.43	0.15	0.27
6	A'	169	169	0.03	1.88	0.62	0.76
7	A"	797	797	208.22	4.38	0.75	0.86
8	A"	324	324	0.03	1.91	0.75	0.86
9	A"	199	199	0.00	1.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.136	0.499	0.000
F2	-1.240	1.234	0.000
Cl3	1.264	1.590	0.000
Br4	-0.136	-0.588	1.573
Br5	-0.136	-0.588	-1.573

	C1	F2	Cl3	Br4	Br5
C1		1.3267	1.7743	1.9120	1.9120
F2	1.3267		2.5290	2.6482	2.6482
Cl3	1.7743	2.5290		3.0290	3.0290
Br4	1.9120	2.6482	3.0290		3.1465
Br5	1.9120	2.6482	3.0290	3.1465

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.422	F2	C1	Br4	108.348
F2	C1	Br5	108.348	Cl3	C1	Br4	110.453
Cl3	C1	Br5	110.453	Br4	C1	Br5	110.736

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: wB97X-D/6-31G(2df,p)

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	-0.060
2	F	-0.055
3	Cl	-0.057
4	Br	0.086
5	Br	0.086

	x	y	z	Total
	0.048	-0.310	0.000	0.313
CHELPG
AIM
ESP

	x	y	z
x	7.899	1.196	0.000
y	1.196	9.092	0.000
z	0.000	0.000	10.666

<r²>	334.075
(<r²>)^1/2	18.278

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)