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	hartrees
Energy at 0K	-2807.799492
Energy at 298.15K	-2807.804455
HF Energy	-2807.198721
Nuclear repulsion energy	256.993717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3026	18.64
2	A'	1346	1271	116.16
3	A'	1158	1093	242.96
4	A'	725	685	109.26
5	A'	578	545	7.75
6	A'	321	303	0.07
7	A"	1427	1347	32.01
8	A"	1212	1145	177.87
9	A"	317	300	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.927	0.000
H2	-1.515	-0.988	0.000
Br3	0.077	0.970	0.000
F4	0.077	-1.522	1.094
F5	0.077	-1.522	-1.094

	C1	H2	Br3	F4	F5
C1		1.0915	1.9618	1.3426	1.3426
H2	1.0915		2.5227	2.0036	2.0036
Br3	1.9618	2.5227		2.7213	2.7213
F4	1.3426	2.0036	2.7213		2.1878
F5	1.3426	2.0036	2.7213	2.1878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.014	H2	C1	F4	110.384
H2	C1	F5	110.384	Br3	C1	F4	109.455
Br3	C1	F5	109.455	F4	C1	F5	109.130

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

using model chemistry: CCSD/6-31G*

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: CCSD/6-31G*

States and conformations

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