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	hartrees
Energy at 0K	-2708.819428
Energy at 298.15K	-2708.824900
HF Energy	-2708.345198
Nuclear repulsion energy	164.759495

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3213	18.26
2	A'	1571	1571	0.79
3	A'	1402	1402	76.68
4	A'	1159	1159	158.59
5	A'	663	663	57.59
6	A'	317	317	0.63
7	A"	3302	3302	9.61
8	A"	1297	1297	3.34
9	A"	973	973	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.517	-1.120	0.000
F2	-0.588	-1.914	0.000
Br3	0.000	0.758	0.000
H4	1.093	-1.289	0.900
H5	1.093	-1.289	-0.900

	C1	F2	Br3	H4	H5
C1		1.3609	1.9478	1.0820	1.0820
F2	1.3609		2.7363	2.0069	2.0069
Br3	1.9478	2.7363		2.4889	2.4889
H4	1.0820	2.0069	2.4889		1.8004
H5	1.0820	2.0069	2.4889	1.8004

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.318	F2	C1	H4	109.950
F2	C1	H5	109.950	Br3	C1	H4	106.967
Br3	C1	H5	106.967	H4	C1	H5	112.602

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

using model chemistry: MP3=FULL/6-31G**

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: MP3=FULL/6-31G**

States and conformations

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