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	hartrees
Energy at 0K	-2708.848163
Energy at 298.15K	-2708.853636
HF Energy	-2708.366582
Nuclear repulsion energy	164.898837

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	2998	13.59
2	A'	1551	1445	0.16
3	A'	1402	1306	71.52
4	A'	1116	1040	184.23
5	A'	665	619	60.53
6	A'	320	298	0.99
7	A"	3309	3083	2.96
8	A"	1283	1195	3.80
9	A"	980	913	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.523	-1.111	0.000
F2	-0.590	-1.912	0.000
Br3	0.000	0.756	0.000
H4	1.089	-1.298	0.902
H5	1.089	-1.298	-0.902

	C1	F2	Br3	H4	H5
C1		1.3715	1.9393	1.0817	1.0817
F2	1.3715		2.7331	2.0033	2.0033
Br3	1.9393	2.7331		2.4940	2.4940
H4	1.0817	2.0033	2.4940		1.8050
H5	1.0817	2.0033	2.4940	1.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.104	F2	C1	H4	108.919
F2	C1	H5	108.919	Br3	C1	H4	107.897
Br3	C1	H5	107.897	H4	C1	H5	113.083

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

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

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/6-31+G**

States and conformations

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