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	hartrees
Energy at 0K	-2807.790490
Energy at 298.15K	-2807.795466
HF Energy	-2807.199095
Nuclear repulsion energy	257.349619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3033	16.58
2	A'	1355	1272	116.90
3	A'	1171	1099	246.32
4	A'	729	684	110.29
5	A'	583	547	7.97
6	A'	323	304	0.07
7	A"	1439	1351	32.51
8	A"	1226	1151	177.98
9	A"	320	300	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	-0.430	-0.917	0.000
H2	-1.515	-0.984	0.000
Br3	0.077	0.965	0.000
F4	0.077	-1.516	1.090
F5	0.077	-1.516	-1.090

	C1	H2	Br3	F4	F5
C1		1.0875	1.9491	1.3426	1.3426
H2	1.0875		2.5166	2.0017	2.0017
Br3	1.9491	2.5166		2.7091	2.7091
F4	1.3426	2.0017	2.7091		2.1790
F5	1.3426	2.0017	2.7091	2.1790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.591	H2	C1	F4	110.481
H2	C1	F5	110.481	Br3	C1	F4	109.391
Br3	C1	F5	109.391	F4	C1	F5	108.488

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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