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	hartrees
Energy at 0K	-3256.108770
Energy at 298.15K	-3256.112522
HF Energy	-3256.108770
Nuclear repulsion energy	428.291541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1120	1076	296.63
2	A'	771	741	434.82
3	A'	592	569	26.69
4	A'	375	361	4.74
5	A'	315	303	0.48
6	A'	199	191	0.23
7	A"	1253	1204	184.01
8	A"	363	348	3.64
9	A"	271	260	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.082	0.693	0.000
Br2	0.566	-1.221	0.000
Cl3	-1.792	0.892	0.000
F4	0.566	1.301	1.108
F5	0.566	1.301	-1.108

	C1	Br2	Cl3	F4	F5
C1		1.9745	1.8847	1.3538	1.3538
Br2	1.9745		3.1662	2.7555	2.7555
Cl3	1.8847	3.1662		2.6377	2.6377
F4	1.3538	2.7555	2.6377		2.2170
F5	1.3538	2.7555	2.6377	2.2170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.228	Br2	C1	F4	110.370
Br2	C1	F5	110.370	Cl3	C1	F4	107.943
Cl3	C1	F5	107.943	F4	C1	F5	109.923

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

using model chemistry: B3PW91/3-21G

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	0.186
2	Br	0.198
3	Cl	0.065
4	F	-0.224
5	F	-0.224

	x	y	z	Total
	0.684	-0.654	0.000	0.946
CHELPG
AIM
ESP

	x	y	z
x	5.488	-1.595	0.000
y	-1.595	5.632	0.000
z	0.000	0.000	2.515

<r²>	221.776
(<r²>)^1/2	14.892

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

using model chemistry: B3PW91/3-21G

States and conformations

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