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	hartrees
Energy at 0K	-2810.596196
Energy at 298.15K
HF Energy	-2809.820226
Nuclear repulsion energy	258.201662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3205	3038	13.35
2	A'	1364	1293	119.74
3	A'	1159	1099	274.56
4	A'	738	700	109.98
5	A'	601	570	7.20
6	A'	333	315	0.07
7	A"	1434	1359	24.59
8	A"	1198	1135	220.16
9	A"	324	307	0.46

Atom	x (Å)	y (Å)	z (Å)
C1	-0.423	-0.911	0.000
H2	-1.505	-0.985	0.000
Br3	0.076	0.963	0.000
F4	0.076	-1.515	1.083
F5	0.076	-1.515	-1.083

	C1	H2	Br3	F4	F5
C1		1.0854	1.9399	1.3364	1.3364
H2	1.0854		2.5097	1.9887	1.9887
Br3	1.9399	2.5097		2.7046	2.7046
F4	1.3364	1.9887	2.7046		2.1659
F5	1.3364	1.9887	2.7046	2.1659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.806	H2	C1	F4	109.974
H2	C1	F5	109.974	Br3	C1	F4	109.907
Br3	C1	F5	109.907	F4	C1	F5	108.268

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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