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	hartrees
Energy at 0K	-5685.871591
Energy at 298.15K
HF Energy	-5685.871591
Nuclear repulsion energy	702.853592

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'	1250	1250	135.75	0.85	0.71	0.83
2	A'	715	715	237.13	4.80	0.36	0.53
3	A'	439	439	9.74	8.62	0.01	0.03
4	A'	331	331	2.08	4.36	0.74	0.85
5	A'	247	247	0.80	7.36	0.28	0.43
6	A'	157	157	0.01	3.78	0.72	0.84
7	A"	768	768	238.31	1.18	0.75	0.86
8	A"	308	308	0.28	3.25	0.75	0.86
9	A"	177	177	0.95	3.78	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.088	0.521	0.000
F2	-0.442	1.788	0.000
Cl3	2.023	0.730	0.000
Br4	-0.442	-0.452	1.655
Br5	-0.442	-0.452	-1.655

	C1	F2	Cl3	Br4	Br5
C1		1.3737	1.9468	1.9916	1.9916
F2	1.3737		2.6828	2.7855	2.7855
Cl3	1.9468	2.6828		3.1959	3.1959
Br4	1.9916	2.7855	3.1959		3.3104
Br5	1.9916	2.7855	3.1959	3.3104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.513	F2	C1	Br4	110.376
F2	C1	Br5	110.376	Cl3	C1	Br4	108.472
Cl3	C1	Br5	108.472	Br4	C1	Br5	112.419

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: B97D3/STO-3G

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	0.068
2	F	0.001
3	Cl	-0.174
4	Br	0.053
5	Br	0.053

	x	y	z	Total
	-1.863	0.250	0.000	1.880
CHELPG
AIM
ESP

	x	y	z
x	4.155	1.091	0.000
y	1.091	2.604	0.000
z	0.000	0.000	5.550

<r²>	364.683
(<r²>)^1/2	19.097

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: B97D3/STO-3G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)