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	hartrees
Energy at 0K	-2810.804921
Energy at 298.15K	-2810.809910
HF Energy	-2809.870403
Nuclear repulsion energy	258.441161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3156	3077
2	A'	1317	1284
3	A'	1137	1108
4	A'	725	707
5	A'	587	572
6	A'	327	318
7	A"	1390	1355
8	A"	1179	1149
9	A"	317	309

Atom	x (Å)	y (Å)	z (Å)
C1	-0.424	-0.910	0.000
H2	-1.507	-0.979	0.000
Br3	0.076	0.961	0.000
F4	0.076	-1.511	1.085
F5	0.076	-1.511	-1.085

	C1	H2	Br3	F4	F5
C1		1.0859	1.9364	1.3378	1.3378
H2	1.0859		2.5044	1.9922	1.9922
Br3	1.9364	2.5044		2.6998	2.6998
F4	1.3378	1.9922	2.6998		2.1709
F5	1.3378	1.9922	2.6998	2.1709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.630	H2	C1	F4	110.131
H2	C1	F5	110.131	Br3	C1	F4	109.740
Br3	C1	F5	109.740	F4	C1	F5	108.461

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

using model chemistry: CCSD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

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