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	hartrees
Energy at 0K	-2810.378079
Energy at 298.15K
HF Energy	-2809.708243
Nuclear repulsion energy	257.502293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3185	23.44
2	A'	1324	1324	116.59
3	A'	1150	1150	270.23
4	A'	729	729	106.84
5	A'	589	589	7.12
6	A'	328	328	0.09
7	A"	1405	1405	36.48
8	A"	1206	1206	203.37
9	A"	321	321	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.914	0.000
H2	-1.520	-0.980	0.000
Br3	0.077	0.965	0.000
F4	0.077	-1.516	1.089
F5	0.077	-1.516	-1.089

	C1	H2	Br3	F4	F5
C1		1.0982	1.9443	1.3411	1.3411
H2	1.0982		2.5156	2.0056	2.0056
Br3	1.9443	2.5156		2.7093	2.7093
F4	1.3411	2.0056	2.7093		2.1783
F5	1.3411	2.0056	2.7093	2.1783

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.316	H2	C1	F4	110.215
H2	C1	F5	110.215	Br3	C1	F4	109.738
Br3	C1	F5	109.738	F4	C1	F5	108.611

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

using model chemistry: CCSD=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

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