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	hartrees
Energy at 0K	-2699.545176
Energy at 298.15K
HF Energy	-2699.460358
Nuclear repulsion energy	159.847042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3153	20.01
2	A'	1572	1572	0.76
3	A'	1379	1379	65.50
4	A'	1096	1096	129.81
5	A'	608	608	61.92
6	A'	284	284	1.22
7	A"	3231	3231	16.11
8	A"	1262	1262	1.46
9	A"	948	948	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	-1.166	0.000
F2	-0.600	-1.980	0.000
Br3	0.000	0.784	0.000
H4	1.115	-1.309	0.902
H5	1.115	-1.309	-0.902

	C1	F2	Br3	H4	H5
C1		1.3928	2.0200	1.0850	1.0850
F2	1.3928		2.8288	2.0511	2.0511
Br3	2.0200	2.8288		2.5371	2.5371
H4	1.0850	2.0511	2.5371		1.8037
H5	1.0850	2.0511	2.5371	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.625	F2	C1	H4	111.136
F2	C1	H5	111.136	Br3	C1	H4	105.609
Br3	C1	H5	105.609	H4	C1	H5	112.440

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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/3-21G

States and conformations

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