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	hartrees
Energy at 0K	-32093.797088
Energy at 298.15K	-32093.790336
HF Energy	-5745.867980
Nuclear repulsion energy	727.826089

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'	1115	1076	143.09	1.92	0.46	0.63
2	A'	766	739	217.91	3.74	0.70	0.82
3	A'	458	442	1.13	9.42	0.02	0.05
4	A'	342	330	0.21	2.71	0.47	0.64
5	A'	266	256	0.17	6.44	0.15	0.26
6	A'	163	157	0.04	2.19	0.61	0.76
7	A"	741	715	219.73	3.63	0.75	0.86
8	A"	312	301	0.14	2.17	0.75	0.86
9	A"	193	186	0.01	2.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.136	0.504	0.000
F2	-1.247	1.236	0.000
Cl3	1.267	1.609	0.000
Br4	-0.136	-0.593	1.589
Br5	-0.136	-0.593	-1.589

	C1	F2	Cl3	Br4	Br5
C1		1.3311	1.7850	1.9314	1.9314
F2	1.3311		2.5414	2.6662	2.6662
Cl3	1.7850	2.5414		3.0562	3.0562
Br4	1.9314	2.6662	3.0562		3.1788
Br5	1.9314	2.6662	3.0562	3.1788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	108.861	F2	C1	Br4	108.104
F2	C1	Br5	108.104	Cl3	C1	Br4	110.561
Cl3	C1	Br5	110.561	Br4	C1	Br5	110.565

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: G4

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	-0.054
2	F	-0.039
3	Cl	-0.070
4	Br	0.082
5	Br	0.082

	x	y	z	Total
	0.043	-0.269	0.000	0.272
CHELPG
AIM
ESP

<r²>	339.599
(<r²>)^1/2	18.428

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: G4

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)