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	hartrees
Energy at 0K	-2810.342120
Energy at 298.15K	-2810.347193
HF Energy	-2809.746085
Nuclear repulsion energy	260.080928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3055	20.18
2	A'	1404	1305	135.80
3	A'	1199	1114	298.19
4	A'	766	712	121.82
5	A'	614	571	7.95
6	A'	345	320	0.11
7	A"	1476	1371	31.47
8	A"	1247	1159	226.46
9	A"	337	313	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.419	-0.906	0.000
H2	-1.498	-0.984	0.000
Br3	0.076	0.956	0.000
F4	0.076	-1.502	1.077
F5	0.076	-1.502	-1.077

	C1	H2	Br3	F4	F5
C1		1.0813	1.9267	1.3264	1.3264
H2	1.0813		2.4977	1.9758	1.9758
Br3	1.9267	2.4977		2.6834	2.6834
F4	1.3264	1.9758	2.6834		2.1532
F5	1.3264	1.9758	2.6834	2.1532

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	109.010	H2	C1	F4	109.876
H2	C1	F5	109.876	Br3	C1	F4	109.774
Br3	C1	F5	109.774	F4	C1	F5	108.521

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

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

States and conformations

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