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	hartrees
Energy at 0K	-2712.073748
Energy at 298.15K	-2712.079113
HF Energy	-2712.073748
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3039	3039	23.60
2	A'	1484	1484	0.74
3	A'	1306	1306	61.50
4	A'	1090	1090	181.84
5	A'	586	586	73.69
6	A'	291	291	0.98
7	A"	3126	3126	16.31
8	A"	1228	1228	2.38
9	A"	917	917	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.514	-1.145	0.000
F2	-0.587	-1.948	0.000
Br3	0.000	0.771	0.000
H4	1.098	-1.296	0.913
H5	1.098	-1.296	-0.913

	C1	F2	Br3	H4	H5
C1		1.3619	1.9838	1.0945	1.0945
F2	1.3619		2.7812	2.0239	2.0239
Br3	1.9838	2.7812		2.5125	2.5125
H4	1.0945	2.0239	2.5125		1.8260
H5	1.0945	2.0239	2.5125	1.8260

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	111.097	F2	C1	H4	110.491
F2	C1	H5	110.491	Br3	C1	H4	105.756
Br3	C1	H5	105.756	H4	C1	H5	113.066

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)

using model chemistry: B97D3/6-31G**

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	0.089
2	F	-0.248
3	Br	-0.143
4	H	0.151
5	H	0.151

	x	y	z	Total
	1.537	-0.919	0.000	1.791
CHELPG
AIM
ESP

	x	y	z
x	3.556	-0.419	0.000
y	-0.419	5.772	0.000
z	0.000	0.000	3.388

<r²>	92.858
(<r²>)^1/2	9.636

All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: B97D3/6-31G**

States and conformations

All results from a given calculation for CH₂BrF (Methane, bromofluoro-)