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	hartrees
Energy at 0K	-5741.644626
Energy at 298.15K
HF Energy	-5741.644626
Nuclear repulsion energy	734.682407

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'	1242	1128	212.32	6.26	0.40	0.57
2	A'	905	823	237.14	14.51	0.70	0.83
3	A'	503	457	1.06	8.67	0.03	0.06
4	A'	377	342	0.12	4.01	0.52	0.68
5	A'	289	263	0.11	8.58	0.21	0.35
6	A'	175	159	0.04	3.33	0.64	0.78
7	A"	853	775	249.87	18.47	0.75	0.86
8	A"	341	310	0.19	3.77	0.75	0.86
9	A"	213	194	0.00	3.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.134	0.507	0.000
F2	-1.231	1.230	0.000
Cl3	1.251	1.604	0.000
Br4	-0.134	-0.591	1.595
Br5	-0.134	-0.591	-1.595

	C1	F2	Cl3	Br4	Br5
C1		1.3139	1.7669	1.9365	1.9365
F2	1.3139		2.5106	2.6576	2.6576
Cl3	1.7669	2.5106		3.0465	3.0465
Br4	1.9365	2.6576	3.0465		3.1899
Br5	1.9365	2.6576	3.0465	3.1899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.263	F2	C1	Br4	108.172
F2	C1	Br5	108.172	Cl3	C1	Br4	110.614
Cl3	C1	Br5	110.614	Br4	C1	Br5	110.902

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: HF/TZVP

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	0.272
2	F	-0.156
3	Cl	-0.039
4	Br	-0.039
5	Br	-0.039

	x	y	z	Total
	0.391	-0.506	0.000	0.640
CHELPG
AIM
ESP

	x	y	z
x	6.267	1.214	0.000
y	1.214	7.773	0.000
z	0.000	0.000	9.738

<r²>	340.110
(<r²>)^1/2	18.442

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)