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	hartrees
Energy at 0K	-2709.101329
Energy at 298.15K	-2709.106822
HF Energy	-2708.531855
Nuclear repulsion energy	166.724871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	2972	16.42
2	A'	1541	1460	0.21
3	A'	1384	1312	51.32
4	A'	1144	1084	145.68
5	A'	685	649	51.30
6	A'	326	309	0.68
7	A"	3212	3043	6.89
8	A"	1286	1219	2.58
9	A"	974	922	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.514	-1.100	0.000
F2	-0.587	-1.886	0.000
Br3	0.000	0.747	0.000
H4	1.098	-1.284	0.900
H5	1.098	-1.284	-0.900

	C1	F2	Br3	H4	H5
C1		1.3523	1.9174	1.0886	1.0886
F2	1.3523		2.6970	2.0027	2.0027
Br3	1.9174	2.6970		2.4783	2.4783
H4	1.0886	2.0027	2.4783		1.8000
H5	1.0886	2.0027	2.4783	1.8000

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	109.945	F2	C1	H4	109.794
F2	C1	H5	109.794	Br3	C1	H4	107.864
Br3	C1	H5	107.864	H4	C1	H5	111.534

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

using model chemistry: QCISD/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: QCISD/6-31G(2df,p)

States and conformations

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