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	hartrees
Energy at 0K	-3269.779978
Energy at 298.15K	-3269.783980
HF Energy	-3269.779978
Nuclear repulsion energy	441.778959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1155	1099	307.81
2	A'	869	827	429.84
3	A'	651	620	16.57
4	A'	443	422	0.24
5	A'	334	318	0.56
6	A'	220	209	0.02
7	A"	1248	1187	203.71
8	A"	409	389	0.54
9	A"	295	280	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.680	0.000
Br2	0.546	-1.191	0.000
Cl3	-1.717	0.873	0.000
F4	0.546	1.265	1.077
F5	0.546	1.265	-1.077

	C1	Br2	Cl3	F4	F5
C1		1.9392	1.7657	1.3266	1.3266
Br2	1.9392		3.0634	2.6817	2.6817
Cl3	1.7657	3.0634		2.5371	2.5371
F4	1.3266	2.6817	2.5371		2.1538
F5	1.3266	2.6817	2.5371	2.1538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.468	Br2	C1	F4	108.952
Br2	C1	F5	108.952	Cl3	C1	F4	109.441
Cl3	C1	F5	109.441	F4	C1	F5	108.534

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

using model chemistry: mPW1PW91/6-31G**

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	0.419
2	Br	-0.047
3	Cl	0.048
4	F	-0.210
5	F	-0.210

	x	y	z	Total
	-0.041	-0.201	0.000	0.205
CHELPG
AIM
ESP

	x	y	z
x	6.267	-1.217	0.000
y	-1.217	6.323	0.000
z	0.000	0.000	4.109

<r²>	209.172
(<r²>)^1/2	14.463

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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