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	hartrees
Energy at 0K	-2709.190440
Energy at 298.15K	-2709.195957
HF Energy	-2708.531961
Nuclear repulsion energy	167.846243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	2966	16.89
2	A'	1549	1458	0.08
3	A'	1399	1317	49.79
4	A'	1158	1090	144.06
5	A'	703	662	48.47
6	A'	334	315	0.85
7	A"	3221	3033	6.94
8	A"	1305	1229	2.57
9	A"	988	930	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.511	-1.087	0.000
F2	-0.584	-1.875	0.000
Br3	0.000	0.741	0.000
H4	1.097	-1.275	0.895
H5	1.097	-1.275	-0.895

	C1	F2	Br3	H4	H5
C1		1.3489	1.8984	1.0865	1.0865
F2	1.3489		2.6809	1.9970	1.9970
Br3	1.8984	2.6809		2.4634	2.4634
H4	1.0865	1.9970	2.4634		1.7906
H5	1.0865	1.9970	2.4634	1.7906

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.145	F2	C1	H4	109.705
F2	C1	H5	109.705	Br3	C1	H4	108.137
Br3	C1	H5	108.137	H4	C1	H5	110.984

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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