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	hartrees
Energy at 0K	-2698.028118
Energy at 298.15K	-2698.033487
HF Energy	-2697.750365
Nuclear repulsion energy	158.623456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3108	3042
2	A'	1560	1527
3	A'	1371	1342
4	A'	1074	1052
5	A'	596	583
6	A'	279	273
7	A"	3183	3116
8	A"	1251	1225
9	A"	933	913

Atom	x (Å)	y (Å)	z (Å)
C1	0.536	-1.173	0.000
F2	-0.607	-1.995	0.000
Br3	0.000	0.790	0.000
H4	1.123	-1.324	0.906
H5	1.123	-1.324	-0.906

	C1	F2	Br3	H4	H5
C1		1.4066	2.0349	1.0905	1.0905
F2	1.4066		2.8496	2.0642	2.0642
Br3	2.0349	2.8496		2.5597	2.5597
H4	1.0905	2.0642	2.5597		1.8130
H5	1.0905	2.0642	2.5597	1.8130

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.457	F2	C1	H4	110.872
F2	C1	H5	110.872	Br3	C1	H4	105.981
Br3	C1	H5	105.981	H4	C1	H5	112.452

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

using model chemistry: MP4=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: MP4=FULL/3-21G

States and conformations

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