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	hartrees
Energy at 0K	-2711.393091
Energy at 298.15K	-2711.398552
HF Energy	-2710.862165
Nuclear repulsion energy	164.494062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	3131	14.37
2	A'	1483	1483	0.10
3	A'	1347	1347	46.33
4	A'	1074	1074	174.35
5	A'	666	666	56.72
6	A'	318	318	0.82
7	A"	3218	3218	2.60
8	A"	1245	1245	2.87
9	A"	948	948

Atom	x (Å)	y (Å)	z (Å)
C1	0.525	-1.110	0.000
F2	-0.595	-1.915	0.000
Br3	0.000	0.757	0.000
H4	1.100	-1.295	0.915
H5	1.100	-1.295	-0.915

	C1	F2	Br3	H4	H5
C1		1.3793	1.9397	1.0963	1.0963
F2	1.3793		2.7375	2.0236	2.0236
Br3	1.9397	2.7375		2.5017	2.5017
H4	1.0963	2.0236	2.5017		1.8298
H5	1.0963	2.0236	2.5017	1.8298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.988	F2	C1	H4	109.118
F2	C1	H5	109.118	Br3	C1	H4	107.719
Br3	C1	H5	107.719	H4	C1	H5	113.140

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

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

States and conformations

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