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	hartrees
Energy at 0K	-3235.588633
Energy at 298.15K	-3235.592180
HF Energy	-3235.588633
Nuclear repulsion energy	422.301674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1189	1061	181.92
2	A'	809	722	297.76
3	A'	608	542	24.74
4	A'	395	353	1.16
5	A'	333	297	0.29
6	A'	193	173	1.10
7	A"	1325	1183	130.18
8	A"	371	331	5.86
9	A"	265	237	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.095	0.693	0.000
Br2	0.575	-1.233	0.000
Cl3	-1.826	0.888	0.000
F4	0.575	1.327	1.124
F5	0.575	1.327	-1.124

	C1	Br2	Cl3	F4	F5
C1		1.9844	1.9309	1.3771	1.3771
Br2	1.9844		3.2037	2.7960	2.7960
Cl3	1.9309	3.2037		2.6871	2.6871
F4	1.3771	2.7960	2.6871		2.2481
F5	1.3771	2.7960	2.6871	2.2481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.808	Br2	C1	F4	111.274
Br2	C1	F5	111.274	Cl3	C1	F4	107.458
Cl3	C1	F5	107.458	F4	C1	F5	109.420

All results from a given calculation for CBrClF₂ (Methane, bromochlorodifluoro-)

using model chemistry: B3LYP/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	0.203
2	Br	0.037
3	Cl	-0.180
4	F	-0.030
5	F	-0.030

	x	y	z	Total
	1.880	0.218	0.000	1.892
CHELPG
AIM
ESP

	x	y	z
x	3.572	-1.091	0.000
y	-1.091	3.691	0.000
z	0.000	0.000	1.346

<r²>	224.583
(<r²>)^1/2	14.986

All results from a given calculation for CBrClF2 (Methane, bromochlorodifluoro-)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CBrClF₂ (Methane, bromochlorodifluoro-)