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	hartrees
Energy at 0K	-2711.729696
Energy at 298.15K	-2711.735190
HF Energy	-2710.977005
Nuclear repulsion energy	166.852804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3013	12.43
2	A'	1534	1459	0.27
3	A'	1370	1304	41.09
4	A'	1097	1044	174.94
5	A'	694	660	57.43
6	A'	325	309	0.80
7	A"	3229	3072	1.12
8	A"	1271	1210	2.46
9	A"	972	925	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.092	0.000
F2	-0.585	-1.894	0.000
Br3	0.000	0.747	0.000
H4	1.087	-1.269	0.899
H5	1.087	-1.269	-0.899

	C1	F2	Br3	H4	H5
C1		1.3607	1.9089	1.0806	1.0806
F2	1.3607		2.7041	1.9984	1.9984
Br3	1.9089	2.7041		2.4599	2.4599
H4	1.0806	1.9984	2.4599		1.7988
H5	1.0806	1.9984	2.4599	1.7988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.468	F2	C1	H4	109.352
F2	C1	H5	109.352	Br3	C1	H4	107.481
Br3	C1	H5	107.481	H4	C1	H5	112.677

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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: MP2=FULL/aug-cc-pVTZ

States and conformations

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