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	hartrees
Energy at 0K	-2697.998453
Energy at 298.15K	-2698.003856
HF Energy	-2697.751049
Nuclear repulsion energy	159.530853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3025	20.95
2	A'	1589	1517	1.89
3	A'	1401	1337	71.14
4	A'	1094	1044	115.41
5	A'	617	589	53.05
6	A'	287	274	1.07
7	A"	3248	3100	16.08
8	A"	1275	1217	1.64
9	A"	955	911	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.533	-1.163	0.000
F2	-0.604	-1.984	0.000
Br3	0.000	0.785	0.000
H4	1.119	-1.316	0.902
H5	1.119	-1.316	-0.902

	C1	F2	Br3	H4	H5
C1		1.4028	2.0199	1.0860	1.0860
F2	1.4028		2.8340	2.0563	2.0563
Br3	2.0199	2.8340		2.5452	2.5452
H4	1.0860	2.0563	2.5452		1.8039
H5	1.0860	2.0563	2.5452	1.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.492	F2	C1	H4	110.788
F2	C1	H5	110.788	Br3	C1	H4	106.129
Br3	C1	H5	106.129	H4	C1	H5	112.310

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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