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	hartrees
Energy at 0K	-2698.309239
Energy at 298.15K	-2698.314677
HF Energy	-2697.969611
Nuclear repulsion energy	162.337454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3000	18.40
2	A'	1598	1520	0.99
3	A'	1408	1339	66.60
4	A'	1091	1037	98.64
5	A'	653	622	62.98
6	A'	298	284	1.00
7	A"	3229	3072	12.49
8	A"	1278	1216	1.68
9	A"	986	938	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.529	-1.121	0.000
F2	-0.601	-1.956	0.000
Br3	0.000	0.768	0.000
H4	1.116	-1.277	0.902
H5	1.116	-1.277	-0.902

	C1	F2	Br3	H4	H5
C1		1.4047	1.9616	1.0875	1.0875
F2	1.4047		2.7898	2.0547	2.0547
Br3	1.9616	2.7898		2.4983	2.4983
H4	1.0875	2.0547	2.4983		1.8039
H5	1.0875	2.0547	2.4983	1.8039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.855	F2	C1	H4	110.412
F2	C1	H5	110.412	Br3	C1	H4	106.484
Br3	C1	H5	106.484	H4	C1	H5	112.063

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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