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	hartrees
Energy at 0K	-2810.622202
Energy at 298.15K
HF Energy	-2809.779400
Nuclear repulsion energy	259.599360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3198	6.41
2	A'	1347	1347	84.55
3	A'	1168	1168	258.98
4	A'	745	745	105.33
5	A'	601	601	5.56
6	A'	337	337	0.12
7	A"	1419	1419	13.29
8	A"	1205	1205	198.73
9	A"	325	325	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.908	0.000
H2	-1.504	-0.979	0.000
Br3	0.076	0.958	0.000
F4	0.076	-1.506	1.077
F5	0.076	-1.506	-1.077

	C1	H2	Br3	F4	F5
C1		1.0844	1.9312	1.3285	1.3285
H2	1.0844		2.4997	1.9833	1.9833
Br3	1.9312	2.4997		2.6887	2.6887
F4	1.3285	1.9833	2.6887		2.1538
F5	1.3285	1.9833	2.6887	2.1538

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.700	H2	C1	F4	110.156
H2	C1	F5	110.156	Br3	C1	F4	109.755
Br3	C1	F5	109.755	F4	C1	F5	108.311

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

using model chemistry: MP3/6-311+G(3df,2p)

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: MP3/6-311+G(3df,2p)

States and conformations

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