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	hartrees
Energy at 0K	-5683.316325
Energy at 298.15K
HF Energy	-5683.316325
Nuclear repulsion energy	718.526008

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'	1315	1315	128.85	1.27	0.32	0.49
2	A'	865	865	211.25	7.86	0.52	0.69
3	A'	492	492	8.40	7.84	0.01	0.03
4	A'	357	357	0.30	3.43	0.75	0.86
5	A'	275	275	1.57	5.59	0.31	0.48
6	A'	169	169	0.08	3.21	0.71	0.83
7	A"	890	890	200.56	2.77	0.75	0.86
8	A"	330	330	0.53	2.67	0.75	0.86
9	A"	193	193	1.33	3.27	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.101	0.508	0.000
F2	-0.431	1.765	0.000
Cl3	1.969	0.705	0.000
Br4	-0.431	-0.442	1.620
Br5	-0.431	-0.442	-1.620

	C1	F2	Cl3	Br4	Br5
C1		1.3642	1.8785	1.9518	1.9518
F2	1.3642		2.6240	2.7369	2.7369
Cl3	1.8785	2.6240		3.1145	3.1145
Br4	1.9518	2.7369	3.1145		3.2393
Br5	1.9518	2.7369	3.1145	3.2393

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Cl3	106.962	F2	C1	Br4	109.987
F2	C1	Br5	109.987	Cl3	C1	Br4	108.793
Cl3	C1	Br5	108.793	Br4	C1	Br5	112.164

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)

using model chemistry: M06-2X/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	0.064
2	F	-0.036
3	Cl	-0.145
4	Br	0.058
5	Br	0.058

	x	y	z	Total
	-1.477	0.090	0.000	1.480
CHELPG
AIM
ESP

	x	y	z
x	3.667	0.946	0.000
y	0.946	2.315	0.000
z	0.000	0.000	4.885

<r²>	350.266
(<r²>)^1/2	18.715

All results from a given calculation for CBr2ClF (dibromochlorofluoromethane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CBr₂ClF (dibromochlorofluoromethane)