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	hartrees
Energy at 0K	-2811.952792
Energy at 298.15K	-2811.957654
HF Energy	-2811.952792
Nuclear repulsion energy	254.835222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3058	3030	18.65
2	A'	1237	1226	83.41
3	A'	1073	1063	284.54
4	A'	670	664	132.32
5	A'	562	557	7.60
6	A'	297	295	2.13
7	A"	1325	1313	18.89
8	A"	1100	1090	226.08
9	A"	299	296	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.428	-0.933	0.000
H2	-1.524	-0.989	0.000
Br3	0.077	0.977	0.000
F4	0.077	-1.533	1.097
F5	0.077	-1.533	-1.097

	C1	H2	Br3	F4	F5
C1		1.0976	1.9750	1.3485	1.3485
H2	1.0976		2.5355	2.0156	2.0156
Br3	1.9750	2.5355		2.7388	2.7388
F4	1.3485	2.0156	2.7388		2.1936
F5	1.3485	2.0156	2.7388	2.1936

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.777	H2	C1	F4	110.551
H2	C1	F5	110.551	Br3	C1	F4	109.549
Br3	C1	F5	109.549	F4	C1	F5	108.848

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

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	0.202
2	H	0.156
3	Br	-0.054
4	F	-0.152
5	F	-0.152

	x	y	z	Total
	-1.398	-0.276	0.000	1.425
CHELPG
AIM
ESP

	x	y	z
x	3.232	0.569	0.000
y	0.569	5.993	0.000
z	0.000	0.000	3.314

<r²>	128.461
(<r²>)^1/2	11.334

All results from a given calculation for CHBrF2 (Methane, bromodifluoro-)

using model chemistry: PBEPBE/6-311G**

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)