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	hartrees
Energy at 0K	-2810.437262
Energy at 298.15K
HF Energy	-2809.747233
Nuclear repulsion energy	258.233585

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	21.38
2	A'	1354	1354	126.84
3	A'	1154	1154	271.07
4	A'	738	738	108.68
5	A'	593	593	7.09
6	A'	331	331	0.09
7	A"	1428	1428	29.69
8	A"	1201	1201	209.51
9	A"	325	325	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.911	0.000
H2	-1.508	-0.985	0.000
Br3	0.076	0.962	0.000
F4	0.076	-1.513	1.085
F5	0.076	-1.513	-1.085

	C1	H2	Br3	F4	F5
C1		1.0880	1.9387	1.3373	1.3373
H2	1.0880		2.5102	1.9913	1.9913
Br3	1.9387	2.5102		2.7026	2.7026
F4	1.3373	1.9913	2.7026		2.1710
F5	1.3373	1.9913	2.7026	2.1710

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.788	H2	C1	F4	109.958
H2	C1	F5	109.958	Br3	C1	F4	109.804
Br3	C1	F5	109.804	F4	C1	F5	108.520

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

using model chemistry: CCSD/6-311G**

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/6-311G**

States and conformations

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