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	hartrees
Energy at 0K	-2810.807292
Energy at 298.15K
HF Energy	-2809.875573
Nuclear repulsion energy	259.671796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3180	6.63
2	A'	1334	1334	85.47
3	A'	1150	1150	251.10
4	A'	746	746	101.54
5	A'	592	592	5.15
6	A'	334	334	0.17
7	A"	1399	1399	13.44
8	A"	1185	1185	198.32
9	A"	322	322	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.425	-0.900	0.000
H2	-1.507	-0.973	0.000
Br3	0.076	0.955	0.000
F4	0.076	-1.503	1.082
F5	0.076	-1.503	-1.082

	C1	H2	Br3	F4	F5
C1		1.0847	1.9215	1.3363	1.3363
H2	1.0847		2.4951	1.9895	1.9895
Br3	1.9215	2.4951		2.6858	2.6858
F4	1.3363	1.9895	2.6858		2.1644
F5	1.3363	1.9895	2.6858	2.1644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.998	H2	C1	F4	110.090
H2	C1	F5	110.090	Br3	C1	F4	109.748
Br3	C1	F5	109.748	F4	C1	F5	108.155

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

using model chemistry: CCSD/daug-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/daug-cc-pVTZ

States and conformations

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