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	hartrees
Energy at 0K	-2698.333940
Energy at 298.15K	-2698.339380
HF Energy	-2697.969756
Nuclear repulsion energy	162.501653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3146	17.60
2	A'	1592	1592	0.64
3	A'	1404	1404	62.44
4	A'	1107	1107	92.77
5	A'	654	654	55.47
6	A'	299	299	1.19
7	A"	3215	3215	12.76
8	A"	1276	1276	1.90
9	A"	979	979	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	-1.123	0.000
F2	-0.601	-1.950	0.000
Br3	0.000	0.767	0.000
H4	1.116	-1.283	0.902
H5	1.116	-1.283	-0.902

	C1	F2	Br3	H4	H5
C1		1.4002	1.9626	1.0882	1.0882
F2	1.4002		2.7830	2.0507	2.0507
Br3	1.9626	2.7830		2.5027	2.5027
H4	1.0882	2.0507	2.5027		1.8041
H5	1.0882	2.0507	2.5027	1.8041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.592	F2	C1	H4	110.368
F2	C1	H5	110.368	Br3	C1	H4	106.704
Br3	C1	H5	106.704	H4	C1	H5	111.985

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

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G*

States and conformations

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