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	hartrees
Energy at 0K	-2712.931191
Energy at 298.15K	-2712.936642
HF Energy	-2712.699922
Nuclear repulsion energy	164.945294

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3127	2989	16.48
2	A'	1515	1448	0.15
3	A'	1351	1291	48.13
4	A'	1096	1048	185.81
5	A'	647	618	67.55
6	A'	313	299	0.42
7	A"	3207	3065	4.68
8	A"	1264	1208	2.82
9	A"	951	909	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.118	0.000
F2	-0.585	-1.915	0.000
Br3	0.000	0.758	0.000
H4	1.088	-1.285	0.902
H5	1.088	-1.285	-0.902

	C1	F2	Br3	H4	H5
C1		1.3578	1.9449	1.0820	1.0820
F2	1.3578		2.7357	2.0021	2.0021
Br3	1.9449	2.7357		2.4841	2.4841
H4	1.0820	2.0021	2.4841		1.8046
H5	1.0820	2.0021	2.4841	1.8046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.598	F2	C1	H4	109.771
F2	C1	H5	109.771	Br3	C1	H4	106.814
Br3	C1	H5	106.814	H4	C1	H5	112.997

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

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