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	hartrees
Energy at 0K	-2712.876969
Energy at 298.15K
HF Energy	-2712.594847
Nuclear repulsion energy	164.360117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	3127	20.44
2	A'	1515	1515	0.71
3	A'	1358	1358	65.99
4	A'	1100	1100	194.10
5	A'	641	641	71.88
6	A'	312	312	0.54
7	A"	3213	3213	8.68
8	A"	1267	1267	3.66
9	A"	951	951	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.124	0.000
F2	-0.586	-1.921	0.000
Br3	0.000	0.761	0.000
H4	1.090	-1.292	0.906
H5	1.090	-1.292	-0.906

	C1	F2	Br3	H4	H5
C1		1.3590	1.9541	1.0858	1.0858
F2	1.3590		2.7450	2.0061	2.0061
Br3	1.9541	2.7450		2.4945	2.4945
H4	1.0858	2.0061	2.4945		1.8113
H5	1.0858	2.0061	2.4945	1.8113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.609	F2	C1	H4	109.782
F2	C1	H5	109.782	Br3	C1	H4	106.779
Br3	C1	H5	106.779	H4	C1	H5	113.033

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH2BrF (Methane, bromofluoro-)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

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