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	hartrees
Energy at 0K	-2709.185542
Energy at 298.15K	-2709.191065
HF Energy	-2708.532056
Nuclear repulsion energy	167.986955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3175	14.76
2	A'	1554	1554	0.19
3	A'	1403	1403	48.79
4	A'	1172	1172	145.04
5	A'	707	707	47.41
6	A'	336	336	0.92
7	A"	3247	3247	5.84
8	A"	1311	1311	2.72
9	A"	990	990	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.509	-1.087	0.000
F2	-0.583	-1.874	0.000
Br3	0.000	0.741	0.000
H4	1.095	-1.273	0.894
H5	1.095	-1.273	-0.894

	C1	F2	Br3	H4	H5
C1		1.3459	1.8980	1.0849	1.0849
F2	1.3459		2.6788	1.9938	1.9938
Br3	1.8980	2.6788		2.4610	2.4610
H4	1.0849	1.9938	2.4610		1.7882
H5	1.0849	1.9938	2.4610	1.7882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.176	F2	C1	H4	109.751
F2	C1	H5	109.751	Br3	C1	H4	108.065
Br3	C1	H5	108.065	H4	C1	H5	111.001

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

using model chemistry: MP3=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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