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	hartrees
Energy at 0K	-2807.837651
Energy at 298.15K	-2807.842631
HF Energy	-2807.225982
Nuclear repulsion energy	257.584103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3246	3059	8.16
2	A'	1356	1278	108.91
3	A'	1137	1071	253.08
4	A'	731	689	108.12
5	A'	575	542	6.49
6	A'	329	310	0.32
7	A"	1403	1322	19.79
8	A"	1174	1106	214.40
9	A"	321	302	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.432	-0.903	0.000
H2	-1.513	-0.990	0.000
Br3	0.077	0.962	0.000
F4	0.077	-1.514	1.093
F5	0.077	-1.514	-1.093

	C1	H2	Br3	F4	F5
C1		1.0847	1.9333	1.3520	1.3520
H2	1.0847		2.5176	2.0002	2.0002
Br3	1.9333	2.5176		2.7065	2.7065
F4	1.3520	2.0002	2.7065		2.1861
F5	1.3520	2.0002	2.7065	2.1861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.852	H2	C1	F4	109.857
H2	C1	F5	109.857	Br3	C1	F4	109.675
Br3	C1	F5	109.675	F4	C1	F5	107.897

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

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 CHBrF2 (Methane, bromodifluoro-)

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

States and conformations

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