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	hartrees
Energy at 0K	-3266.089188
Energy at 298.15K	-3266.093404
HF Energy	-3266.089188
Nuclear repulsion energy	445.312654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1261	1133	344.46
2	A'	980	880	458.95
3	A'	702	631	16.22
4	A'	483	434	0.56
5	A'	363	326	0.06
6	A'	239	215	0.01
7	A"	1356	1219	222.72
8	A"	442	397	0.92
9	A"	325	292	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.035	0.671	0.000
Br2	0.542	-1.186	0.000
Cl3	-1.703	0.879	0.000
F4	0.542	1.252	1.062
F5	0.542	1.252	-1.062

	C1	Br2	Cl3	F4	F5
C1		1.9254	1.7503	1.3124	1.3124
Br2	1.9254		3.0509	2.6596	2.6596
Cl3	1.7503	3.0509		2.5118	2.5118
F4	1.3124	2.6596	2.5118		2.1231
F5	1.3124	2.6596	2.5118	2.1231

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.109	Br2	C1	F4	108.979
Br2	C1	F5	108.979	Cl3	C1	F4	109.357
Cl3	C1	F5	109.357	F4	C1	F5	107.968

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

using model chemistry: HF/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	0.628
2	Br	-0.064
3	Cl	0.039
4	F	-0.302
5	F	-0.302

	x	y	z	Total
	-0.205	-0.425	0.000	0.472
CHELPG
AIM
ESP

<r²>	207.168
(<r²>)^1/2	14.393

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

using model chemistry: HF/6-31G*

States and conformations

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