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	hartrees
Energy at 0K	-3272.331393
Energy at 298.15K	-3272.335337
HF Energy	-3272.331393
Nuclear repulsion energy	438.415659

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1091	1055	302.50
2	A'	828	800	405.03
3	A'	643	621	12.77
4	A'	431	416	0.83
5	A'	325	314	1.03
6	A'	210	203	0.11
7	A"	1158	1119	204.70
8	A"	403	390	0.12
9	A"	290	280	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.685	0.000
Br2	0.550	-1.205	0.000
Cl3	-1.729	0.890	0.000
F4	0.550	1.274	1.078
F5	0.550	1.274	-1.078

	C1	Br2	Cl3	F4	F5
C1		1.9583	1.7785	1.3314	1.3314
Br2	1.9583		3.0956	2.7032	2.7032
Cl3	1.7785	3.0956		2.5508	2.5508
F4	1.3314	2.7032	2.5508		2.1569
F5	1.3314	2.7032	2.5508	2.1569

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.780	Br2	C1	F4	109.022
Br2	C1	F5	109.022	Cl3	C1	F4	109.376
Cl3	C1	F5	109.376	F4	C1	F5	108.192

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

using model chemistry: B3LYP/cc-pVTZ

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	0.351
2	Br	-0.031
3	Cl	-0.069
4	F	-0.125
5	F	-0.125

	x	y	z	Total
	-0.199	-0.294	0.000	0.355
CHELPG
AIM
ESP

	x	y	z
x	7.038	-1.319	0.000
y	-1.319	7.376	0.000
z	0.000	0.000	4.830

<r²>	212.744
(<r²>)^1/2	14.586

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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