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	hartrees
Energy at 0K	-2810.777627
Energy at 298.15K
HF Energy	-2809.837590
Nuclear repulsion energy	259.636956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3194	10.19
2	A'	1350	1350	95.21
3	A'	1166	1166	257.66
4	A'	749	749	101.83
5	A'	600	600	5.65
6	A'	338	338	0.14
7	A"	1418	1418	16.64
8	A"	1207	1207	200.87
9	A"	325	325	0.24

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.903	0.000
H2	-1.503	-0.973	0.000
Br3	0.076	0.957	0.000
F4	0.076	-1.505	1.080
F5	0.076	-1.505	-1.080

	C1	H2	Br3	F4	F5
C1		1.0831	1.9252	1.3328	1.3328
H2	1.0831		2.4936	1.9853	1.9853
Br3	1.9252	2.4936		2.6879	2.6879
F4	1.3328	1.9853	2.6879		2.1598
F5	1.3328	1.9853	2.6879	2.1598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.722	H2	C1	F4	110.096
H2	C1	F5	110.096	Br3	C1	F4	109.841
Br3	C1	F5	109.841	F4	C1	F5	108.238

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

using model chemistry: CCD/Def2TZVPP

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/Def2TZVPP

States and conformations

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