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	hartrees
Energy at 0K	-2710.246461
Energy at 298.15K	-2710.251897
HF Energy	-2710.096403
Nuclear repulsion energy	164.127267

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3148	19.29
2	A'	1539	1539	0.56
3	A'	1366	1366	71.84
4	A'	1128	1128	171.24
5	A'	636	636	69.32
6	A'	308	308	0.49
7	A"	3237	3237	9.90
8	A"	1271	1271	2.83
9	A"	956	956	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.515	-1.128	0.000
F2	-0.587	-1.924	0.000
Br3	0.000	0.762	0.000
H4	1.095	-1.288	0.905
H5	1.095	-1.288	-0.905

	C1	F2	Br3	H4	H5
C1		1.3594	1.9586	1.0861	1.0861
F2	1.3594		2.7488	2.0123	2.0123
Br3	1.9586	2.7488		2.4938	2.4938
H4	1.0861	2.0123	2.4938		1.8091
H5	1.0861	2.0123	2.4938	1.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.584	F2	C1	H4	110.245
F2	C1	H5	110.245	Br3	C1	H4	106.431
Br3	C1	H5	106.431	H4	C1	H5	112.772

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

using model chemistry: B2PLYP=FULL/6-31G**

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: B2PLYP=FULL/6-31G**

States and conformations

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