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	hartrees
Energy at 0K	-3269.557759
Energy at 298.15K	-3269.561592
HF Energy	-3269.557759
Nuclear repulsion energy	432.000297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1085	1027	295.65
2	A'	814	770	417.92
3	A'	593	561	22.24
4	A'	410	388	0.05
5	A'	320	303	0.11
6	A'	209	198	0.01
7	A"	1173	1111	200.88
8	A"	382	362	2.27
9	A"	279	265	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.044	0.677	0.000
Br2	0.561	-1.208	0.000
Cl3	-1.766	0.880	0.000
F4	0.561	1.293	1.110
F5	0.561	1.293	-1.110

	C1	Br2	Cl3	F4	F5
C1		1.9551	1.8212	1.3710	1.3710
Br2	1.9551		3.1269	2.7364	2.7364
Cl3	1.8212	3.1269		2.6114	2.6114
F4	1.3710	2.7364	2.6114		2.2207
F5	1.3710	2.7364	2.6114	2.2207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.749	Br2	C1	F4	109.461
Br2	C1	F5	109.461	Cl3	C1	F4	108.963
Cl3	C1	F5	108.963	F4	C1	F5	108.171

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	0.093
2	Br	0.213
3	Cl	0.162
4	F	-0.234
5	F	-0.234

	x	y	z	Total
	-0.143	-0.850	0.000	0.862
CHELPG
AIM
ESP

	x	y	z
x	5.461	-1.458	0.000
y	-1.458	5.797	0.000
z	0.000	0.000	2.849

<r²>	218.071
(<r²>)^1/2	14.767

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-)