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	hartrees
Energy at 0K	-5741.858805
Energy at 298.15K
HF Energy	-5741.858805
Nuclear repulsion energy	736.352032

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'	1109	1056	183.70	3.00	0.43	0.60
2	A'	817	778	238.98	5.83	0.58	0.73
3	A'	471	448	1.24	9.52	0.02	0.04
4	A'	346	329	0.02	3.37	0.41	0.58
5	A'	274	261	0.25	6.16	0.19	0.31
6	A'	169	161	0.05	2.19	0.61	0.75
7	A"	759	723	240.52	5.98	0.75	0.86
8	A"	310	295	0.03	2.92	0.75	0.86
9	A"	204	194	0.09	2.47	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.524	0.000
F2	-1.251	1.265	0.000
Cl3	1.261	1.598	0.000
Br4	-0.134	-0.596	1.575
Br5	-0.134	-0.596	-1.575

	C1	F2	Cl3	Br4	Br5
C1		1.3402	1.7600	1.9323	1.9323
F2	1.3402		2.5333	2.6813	2.6813
Cl3	1.7600	2.5333		3.0393	3.0393
Br4	1.9323	2.6813	3.0393		3.1490
Br5	1.9323	2.6813	3.0393	3.1490

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.850	F2	C1	Br4	108.688
F2	C1	Br5	108.688	Cl3	C1	Br4	110.712
Cl3	C1	Br5	110.712	Br4	C1	Br5	109.141

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: mPW1PW91/6-31+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	-0.174
2	F	-0.093
3	Cl	0.172
4	Br	0.047
5	Br	0.047

	x	y	z	Total
	0.381	-0.384	0.000	0.540
CHELPG
AIM
ESP

	x	y	z
x	7.882	1.114	0.000
y	1.114	9.104	0.000
z	0.000	0.000	10.783

<r²>	337.047
(<r²>)^1/2	18.359

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)