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	hartrees
Energy at 0K	-2712.757668
Energy at 298.15K
HF Energy	-2712.590907
Nuclear repulsion energy	164.059879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3012	13.13
2	A'	1468	1413	0.36
3	A'	1323	1273	39.77
4	A'	1048	1009	187.78
5	A'	643	619	69.87
6	A'	309	298	0.44
7	A"	3226	3104	1.68
8	A"	1232	1186	2.47
9	A"	939	904	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	-1.118	0.000
F2	-0.593	-1.922	0.000
Br3	0.000	0.760	0.000
H4	1.095	-1.298	0.915
H5	1.095	-1.298	-0.915

	C1	F2	Br3	H4	H5
C1		1.3767	1.9497	1.0926	1.0926
F2	1.3767		2.7466	2.0184	2.0184
Br3	1.9497	2.7466		2.5037	2.5037
H4	1.0926	2.0184	2.5037		1.8292
H5	1.0926	2.0184	2.5037	1.8292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.126	F2	C1	H4	109.106
F2	C1	H5	109.106	Br3	C1	H4	107.395
Br3	C1	H5	107.395	H4	C1	H5	113.668

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

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

using model chemistry: B2PLYP=FULLultrafine/aug-cc-pVDZ

States and conformations

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