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	hartrees
Energy at 0K	-2710.012701
Energy at 298.15K
HF Energy	-2709.923826
Nuclear repulsion energy	160.284005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3173	14.65
2	A'	1531	1531	0.87
3	A'	1360	1360	56.28
4	A'	1031	1031	139.62
5	A'	594	594	69.58
6	A'	286	286	1.04
7	A"	3274	3274	8.42
8	A"	1228	1228	2.36
9	A"	937	937	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.541	-1.148	0.000
F2	-0.607	-1.972	0.000
Br3	0.000	0.779	0.000
H4	1.108	-1.315	0.910
H5	1.108	-1.315	-0.910

	C1	F2	Br3	H4	H5
C1		1.4131	2.0020	1.0848	1.0848
F2	1.4131		2.8174	2.0491	2.0491
Br3	2.0020	2.8174		2.5380	2.5380
H4	1.0848	2.0491	2.5380		1.8200
H5	1.0848	2.0491	2.5380	1.8200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.973	F2	C1	H4	109.539
F2	C1	H5	109.539	Br3	C1	H4	106.818
Br3	C1	H5	106.818	H4	C1	H5	114.049

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

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

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

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