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	hartrees
Energy at 0K	-3271.374453
Energy at 298.15K	-3271.378304
HF Energy	-3271.374453
Nuclear repulsion energy	435.988998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1055	1044	333.81
2	A'	795	787	463.89
3	A'	624	617	14.71
4	A'	419	414	2.27
5	A'	313	310	2.50
6	A'	207	205	0.14
7	A"	1129	1117	231.61
8	A"	394	390	0.18
9	A"	282	279	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.038	0.688	0.000
Br2	0.553	-1.211	0.000
Cl3	-1.738	0.896	0.000
F4	0.553	1.279	1.088
F5	0.553	1.279	-1.088

	C1	Br2	Cl3	F4	F5
C1		1.9675	1.7882	1.3406	1.3406
Br2	1.9675		3.1125	2.7174	2.7174
Cl3	1.7882	3.1125		2.5644	2.5644
F4	1.3406	2.7174	2.5644		2.1752
F5	1.3406	2.7174	2.5644	2.1752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	111.852	Br2	C1	F4	108.983
Br2	C1	F5	108.983	Cl3	C1	F4	109.258
Cl3	C1	F5	109.258	F4	C1	F5	108.444

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

using model chemistry: PBEPBE/6-311G*

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	0.188
2	Br	0.042
3	Cl	0.007
4	F	-0.119
5	F	-0.119

	x	y	z	Total
	-0.046	-0.275	0.000	0.278
CHELPG
AIM
ESP

	x	y	z
x	6.510	-1.456	0.000
y	-1.456	6.694	0.000
z	0.000	0.000	3.826

<r²>	214.868
(<r²>)^1/2	14.658

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

using model chemistry: PBEPBE/6-311G*

States and conformations

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