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	hartrees
Energy at 0K	-3268.644016
Energy at 298.15K	-3268.648246
HF Energy	-3268.644016
Nuclear repulsion energy	444.397338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1221	1221	310.68
2	A'	970	970	406.31
3	A'	696	696	10.26
4	A'	479	479	0.37
5	A'	368	368	0.16
6	A'	235	235	0.07
7	A"	1297	1297	196.71
8	A"	441	441	0.12
9	A"	322	322

Atom	x (Å)	y (Å)	z (Å)
C1	0.036	0.669	0.000
Br2	0.544	-1.188	0.000
Cl3	-1.708	0.879	0.000
F4	0.544	1.256	1.063
F5	0.544	1.256	-1.063

	C1	Br2	Cl3	F4	F5
C1		1.9247	1.7575	1.3163	1.3163
Br2	1.9247		3.0567	2.6653	2.6653
Cl3	1.7575	3.0567		2.5190	2.5190
F4	1.3163	2.6653	2.5190		2.1262
F5	1.3163	2.6653	2.5190	2.1262

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.147	Br2	C1	F4	109.201
Br2	C1	F5	109.201	Cl3	C1	F4	109.230
Cl3	C1	F5	109.230	F4	C1	F5	107.730

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

using model chemistry: ROHF/aug-cc-pVDZ

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	0.488
2	Br	0.440
3	Cl	-0.059
4	F	-0.435
5	F	-0.435

	x	y	z	Total
	-0.291	-0.505	0.000	0.583
CHELPG
AIM
ESP

<r²>	208.235
(<r²>)^1/2	14.430

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

using model chemistry: ROHF/aug-cc-pVDZ

States and conformations

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