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	hartrees
Energy at 0K	-653.928375
Energy at 298.15K
HF Energy	-652.916278
Nuclear repulsion energy	205.316882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3176	3176
2	A'	1325	1325
3	A'	1142	1142
4	A'	729	729
5	A'	590	590
6	A'	328	328
7	A"	1402	1402
8	A"	1184	1184
9	A"	319	319

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.905	0.000
H2	-1.501	-0.973	0.000
Br3	0.076	0.957	0.000
F4	0.076	-1.505	1.084
F5	0.076	-1.505	-1.084

	C1	H2	Br3	F4	F5
C1		1.0803	1.9282	1.3351	1.3351
H2	1.0803		2.4925	1.9860	1.9860
Br3	1.9282	2.4925		2.6900	2.6900
F4	1.3351	1.9860	2.6900		2.1671
F5	1.3351	1.9860	2.6900	2.1671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.583	H2	C1	F4	110.170
H2	C1	F5	110.170	Br3	C1	F4	109.703
Br3	C1	F5	109.703	F4	C1	F5	108.504

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

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

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)=FULL/cc-pVTZ-PP

States and conformations

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