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	hartrees
Energy at 0K	-2807.865983
Energy at 298.15K	-2807.870946
HF Energy	-2807.225620
Nuclear repulsion energy	257.766249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3252	3054	6.86
2	A'	1345	1264	102.41
3	A'	1107	1040	261.38
4	A'	730	685	122.24
5	A'	566	532	5.94
6	A'	327	307	0.10
7	A"	1384	1300	14.25
8	A"	1133	1064	228.35
9	A"	320	301	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.433	-0.898	0.000
H2	-1.514	-0.985	0.000
Br3	0.078	0.959	0.000
F4	0.078	-1.511	1.097
F5	0.078	-1.511	-1.097

	C1	H2	Br3	F4	F5
C1		1.0843	1.9260	1.3565	1.3565
H2	1.0843		2.5126	2.0033	2.0033
Br3	1.9260	2.5126		2.7030	2.7030
F4	1.3565	2.0033	2.7030		2.1932
F5	1.3565	2.0033	2.7030	2.1932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.996	H2	C1	F4	109.823
H2	C1	F5	109.823	Br3	C1	F4	109.643
Br3	C1	F5	109.643	F4	C1	F5	107.881

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)

using model chemistry: MP2=FULL/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 CHBrF2 (Methane, bromodifluoro-)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for CHBrF₂ (Methane, bromodifluoro-)