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	hartrees
Energy at 0K	-5281.857609
Energy at 298.15K
HF Energy	-5281.857609
Nuclear repulsion energy	481.355149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3054	2.32
2	A'	1333	1276	21.73
3	A'	1146	1096	176.91
4	A'	621	594	25.13
5	A'	354	339	0.55
6	A'	174	166	0.00
7	A"	1197	1145	92.17
8	A"	691	661	208.03
9	A"	294	281	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.800	0.000
H2	-1.017	1.387	0.000
F3	0.975	1.600	0.000
Br4	-0.102	-0.294	1.603
Br5	-0.102	-0.294	-1.603

	C1	H2	F3	Br4	Br5
C1		1.0874	1.3412	1.9411	1.9411
H2	1.0874		2.0034	2.4971	2.4971
F3	1.3412	2.0034		2.7050	2.7050
Br4	1.9411	2.4971	2.7050		3.2064
Br5	1.9411	2.4971	2.7050	3.2064

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.723	H2	C1	Br4	107.721
H2	C1	Br5	107.721	F3	C1	Br4	109.643
F3	C1	Br5	109.643	Br4	C1	Br5	111.363

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken
1	C	0.103
2	H	0.243
3	F	-0.224
4	Br	-0.061
5	Br	-0.061

	x	y	z	Total
	-1.009	0.623	0.000	1.186
CHELPG
AIM
ESP

	x	y	z
x	4.750	0.161	0.000
y	0.161	5.780	0.000
z	0.000	0.000	9.132

<r²>	254.103
(<r²>)^1/2	15.941

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)