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	hartrees
Energy at 0K	-2711.607585
Energy at 298.15K	-2711.613060
HF Energy	-2710.923647
Nuclear repulsion energy	164.754189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3151	2986	18.65
2	A'	1535	1454	0.67
3	A'	1396	1322	76.91
4	A'	1121	1062	190.93
5	A'	662	627	60.67
6	A'	320	303	0.67
7	A"	3236	3066	6.70
8	A"	1287	1220	3.81
9	A"	966	915	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.118	0.000
F2	-0.585	-1.917	0.000
Br3	0.000	0.759	0.000
H4	1.088	-1.296	0.903
H5	1.088	-1.296	-0.903

	C1	F2	Br3	H4	H5
C1		1.3592	1.9462	1.0843	1.0843
F2	1.3592		2.7386	2.0005	2.0005
Br3	1.9462	2.7386		2.4939	2.4939
H4	1.0843	2.0005	2.4939		1.8059
H5	1.0843	2.0005	2.4939	1.8059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.638	F2	C1	H4	109.392
F2	C1	H5	109.392	Br3	C1	H4	107.315
Br3	C1	H5	107.315	H4	C1	H5	112.759

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

using model chemistry: CCSD=FULL/TZVP

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/TZVP

States and conformations

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