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	hartrees
Energy at 0K	-2708.817001
Energy at 298.15K	-2708.822469
HF Energy	-2708.366338
Nuclear repulsion energy	164.595458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3010	14.93
2	A'	1545	1456	0.28
3	A'	1396	1315	72.15
4	A'	1106	1042	183.07
5	A'	664	625	59.36
6	A'	318	300	1.05
7	A"	3285	3096	3.48
8	A"	1275	1202	3.70
9	A"	978	921	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	-1.112	0.000
F2	-0.592	-1.916	0.000
Br3	0.000	0.758	0.000
H4	1.092	-1.301	0.904
H5	1.092	-1.301	-0.904

	C1	F2	Br3	H4	H5
C1		1.3754	1.9417	1.0842	1.0842
F2	1.3754		2.7385	2.0076	2.0076
Br3	1.9417	2.7385		2.4991	2.4991
H4	1.0842	2.0076	2.4991		1.8087
H5	1.0842	2.0076	2.4991	1.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.120	F2	C1	H4	108.843
F2	C1	H5	108.843	Br3	C1	H4	107.984
Br3	C1	H5	107.984	H4	C1	H5	113.048

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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