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	hartrees
Energy at 0K	-2711.658410
Energy at 298.15K	-2711.663904
HF Energy	-2710.977198
Nuclear repulsion energy	166.163346

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3137	3002	13.12
2	A'	1531	1465	0.33
3	A'	1377	1318	45.69
4	A'	1130	1081	174.56
5	A'	686	656	54.12
6	A'	324	310	0.89
7	A"	3216	3077	2.07
8	A"	1276	1222	2.89
9	A"	969	928	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.103	0.000
F2	-0.585	-1.898	0.000
Br3	0.000	0.750	0.000
H4	1.090	-1.281	0.902
H5	1.090	-1.281	-0.902

	C1	F2	Br3	H4	H5
C1		1.3569	1.9239	1.0842	1.0842
F2	1.3569		2.7119	1.9999	1.9999
Br3	1.9239	2.7119		2.4755	2.4755
H4	1.0842	1.9999	2.4755		1.8037
H5	1.0842	1.9999	2.4755	1.8037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.306	F2	C1	H4	109.509
F2	C1	H5	109.509	Br3	C1	H4	107.455
Br3	C1	H5	107.455	H4	C1	H5	112.566

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

using model chemistry: CCD/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: CCD/aug-cc-pVTZ

States and conformations

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