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	hartrees
Energy at 0K	-2699.545174
Energy at 298.15K	-2699.550564
HF Energy	-2699.460354
Nuclear repulsion energy	159.827836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3001	19.98
2	A'	1572	1497	0.75
3	A'	1378	1312	65.47
4	A'	1096	1044	130.02
5	A'	607	578	61.93
6	A'	284	270	1.23
7	A"	3231	3076	16.12
8	A"	1262	1201	1.46
9	A"	947	901	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	-1.166	0.000
F2	-0.600	-1.981	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		1.3927	2.0203	1.0850	1.0850
F2	1.3927		2.8293	2.0511	2.0511
Br3	2.0203	2.8293		2.5373	2.5373
H4	1.0850	2.0511	2.5373		1.8038
H5	1.0850	2.0511	2.5373	1.8038

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.641	F2	C1	H4	111.138
F2	C1	H5	111.138	Br3	C1	H4	105.599
Br3	C1	H5	105.599	H4	C1	H5	112.442

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

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

States and conformations

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