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	hartrees
Energy at 0K	-2712.757670
Energy at 298.15K	-2712.763101
HF Energy	-2712.590902
Nuclear repulsion energy	164.093444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3130	3011	13.16
2	A'	1468	1412	0.37
3	A'	1324	1273	39.78
4	A'	1047	1007	187.41
5	A'	644	619	69.77
6	A'	309	298	0.44
7	A"	3226	3102	1.70
8	A"	1233	1186	2.47
9	A"	939	904	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	-1.117	0.000
F2	-0.593	-1.922	0.000
Br3	0.000	0.760	0.000
H4	1.095	-1.297	0.914
H5	1.095	-1.297	-0.914

	C1	F2	Br3	H4	H5
C1		1.3773	1.9485	1.0927	1.0927
F2	1.3773		2.7464	2.0187	2.0187
Br3	1.9485	2.7464		2.5032	2.5032
H4	1.0927	2.0187	2.5032		1.8289
H5	1.0927	2.0187	2.5032	1.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.154	F2	C1	H4	109.086
F2	C1	H5	109.086	Br3	C1	H4	107.426
Br3	C1	H5	107.426	H4	C1	H5	113.621

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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