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	hartrees
Energy at 0K	-2709.071317
Energy at 298.15K	-2709.076816
HF Energy	-2708.531842
Nuclear repulsion energy	167.073124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2973	14.94
2	A'	1538	1453	0.10
3	A'	1382	1305	48.90
4	A'	1138	1074	143.99
5	A'	694	656	52.83
6	A'	327	309	0.63
7	A"	3231	3051	5.18
8	A"	1283	1212	2.45
9	A"	977	923	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.513	-1.095	0.000
F2	-0.586	-1.883	0.000
Br3	0.000	0.745	0.000
H4	1.098	-1.278	0.899
H5	1.098	-1.278	-0.899

	C1	F2	Br3	H4	H5
C1		1.3532	1.9099	1.0883	1.0883
F2	1.3532		2.6930	2.0033	2.0033
Br3	1.9099	2.6930		2.4710	2.4710
H4	1.0883	2.0033	2.4710		1.7990
H5	1.0883	2.0033	2.4710	1.7990

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	Br3	110.063	F2	C1	H4	109.794
F2	C1	H5	109.794	Br3	C1	H4	107.835
Br3	C1	H5	107.835	H4	C1	H5	111.475

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

using model chemistry: MP2/6-31G(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: MP2/6-31G(2df,p)

States and conformations

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