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	hartrees
Energy at 0K	-2710.275086
Energy at 298.15K
HF Energy	-2710.121411
Nuclear repulsion energy	164.285319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3158	14.00
2	A'	1515	1515	0.02
3	A'	1365	1365	65.06
4	A'	1067	1067	202.04
5	A'	642	642	74.43
6	A'	311	311	0.54
7	A"	3251	3251	2.49
8	A"	1256	1256	3.09
9	A"	962	962	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.523	-1.116	0.000
F2	-0.591	-1.922	0.000
Br3	0.000	0.760	0.000
H4	1.090	-1.297	0.907
H5	1.090	-1.297	-0.907

	C1	F2	Br3	H4	H5
C1		1.3743	1.9471	1.0853	1.0853
F2	1.3743		2.7457	2.0092	2.0092
Br3	1.9471	2.7457		2.4985	2.4985
H4	1.0853	2.0092	2.4985		1.8149
H5	1.0853	2.0092	2.4985	1.8149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.325	F2	C1	H4	108.975
F2	C1	H5	108.975	Br3	C1	H4	107.538
Br3	C1	H5	107.538	H4	C1	H5	113.465

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

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

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/6-31+G**

States and conformations

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