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	hartrees
Energy at 0K	-2711.321503
Energy at 298.15K	-2711.326978
HF Energy	-2710.846797
Nuclear repulsion energy	164.674899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	2990	21.06
2	A'	1515	1436	1.13
3	A'	1364	1293	66.75
4	A'	1149	1089	178.45
5	A'	667	632	54.90
6	A'	321	304	0.66
7	A"	3238	3069	10.73
8	A"	1271	1205	4.47
9	A"	956	906	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.513	-1.120	0.000
F2	-0.587	-1.915	0.000
Br3	0.000	0.758	0.000
H4	1.101	-1.292	0.911
H5	1.101	-1.292	-0.911

	C1	F2	Br3	H4	H5
C1		1.3573	1.9466	1.0979	1.0979
F2	1.3573		2.7365	2.0167	2.0167
Br3	1.9466	2.7365		2.4992	2.4992
H4	1.0979	2.0167	2.4992		1.8218
H5	1.0979	2.0167	2.4992	1.8218

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.572	F2	C1	H4	110.003
F2	C1	H5	110.003	Br3	C1	H4	107.026
Br3	C1	H5	107.026	H4	C1	H5	112.134

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

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

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