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	hartrees
Energy at 0K	-2810.431723
Energy at 298.15K	-2810.436752
HF Energy	-2809.747415
Nuclear repulsion energy	258.548422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3055	21.38
2	A'	1362	1301	128.70
3	A'	1165	1113	268.41
4	A'	743	710	105.93
5	A'	597	570	7.17
6	A'	334	319	0.12
7	A"	1436	1372	31.32
8	A"	1213	1158	207.07
9	A"	327	312	0.53

Atom	x (Å)	y (Å)	z (Å)
C1	-0.422	-0.910	0.000
H2	-1.507	-0.985	0.000
Br3	0.076	0.961	0.000
F4	0.076	-1.511	1.084
F5	0.076	-1.511	-1.084

	C1	H2	Br3	F4	F5
C1		1.0881	1.9366	1.3353	1.3353
H2	1.0881		2.5089	1.9896	1.9896
Br3	1.9366	2.5089		2.6994	2.6994
F4	1.3353	1.9896	2.6994		2.1673
F5	1.3353	1.9896	2.6994	2.1673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.825	H2	C1	F4	109.949
H2	C1	F5	109.949	Br3	C1	F4	109.812
Br3	C1	F5	109.812	F4	C1	F5	108.487

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

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

States and conformations

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