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	hartrees
Energy at 0K	-5289.389379
Energy at 298.15K
HF Energy	-5289.389379
Nuclear repulsion energy	473.530746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3111	3111	5.19	78.67	0.27	0.43
2	A'	1306	1306	19.55	6.37	0.72	0.84
3	A'	1067	1067	217.78	0.80	0.70	0.83
4	A'	591	591	29.31	10.49	0.14	0.24
5	A'	340	340	1.12	6.72	0.19	0.32
6	A'	161	161	0.01	5.96	0.48	0.65
7	A"	1167	1167	100.80	3.09	0.75	0.86
8	A"	627	627	255.06	3.48	0.75	0.86
9	A"	281	281	3.00	3.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.800	0.000
H2	-1.021	1.384	0.000
F3	0.970	1.617	0.000
Br4	-0.101	-0.296	1.638
Br5	-0.101	-0.296	-1.638

	C1	H2	F3	Br4	Br5
C1		1.0892	1.3471	1.9716	1.9716
H2	1.0892		2.0043	2.5208	2.5208
F3	1.3471	2.0043		2.7374	2.7374
Br4	1.9716	2.5208	2.7374		3.2770
Br5	1.9716	2.5208	2.7374	3.2770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.260	H2	C1	Br4	107.348
H2	C1	Br5	107.348	F3	C1	Br4	109.709
F3	C1	Br5	109.709	Br4	C1	Br5	112.410

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B97D3/6-311G*

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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Number	Element	Mulliken
1	C	-0.141
2	H	0.277
3	F	-0.154
4	Br	0.009
5	Br	0.009

	x	y	z	Total
	-1.102	0.606	0.000	1.257
CHELPG
AIM
ESP

	x	y	z
x	4.210	0.227	0.000
y	0.227	5.620	0.000
z	0.000	0.000	9.738

<r²>	262.956
(<r²>)^1/2	16.216

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B97D3/6-311G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)