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	hartrees
Energy at 0K	-5286.848101
Energy at 298.15K
HF Energy	-5286.848101
Nuclear repulsion energy	469.463417

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'	3081	3069	2.32	80.62	0.26	0.42
2	A'	1275	1270	16.25	6.43	0.70	0.83
3	A'	1035	1031	204.19	0.85	0.70	0.82
4	A'	576	574	28.06	10.79	0.14	0.24
5	A'	331	329	1.02	6.98	0.19	0.32
6	A'	155	155	0.02	6.35	0.48	0.65
7	A"	1131	1126	95.69	2.83	0.75	0.86
8	A"	612	610	249.16	3.57	0.75	0.86
9	A"	273	272	2.84	3.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.804	0.000
H2	-1.025	1.386	0.000
F3	0.980	1.625	0.000
Br4	-0.103	-0.298	1.655
Br5	-0.103	-0.298	-1.655

	C1	H2	F3	Br4	Br5
C1		1.0910	1.3585	1.9881	1.9881
H2	1.0910		2.0198	2.5348	2.5348
F3	1.3585	2.0198		2.7579	2.7579
Br4	1.9881	2.5348	2.7579		3.3096
Br5	1.9881	2.5348	2.7579	3.3096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.614	H2	C1	Br4	107.198
H2	C1	Br5	107.198	F3	C1	Br4	109.553
F3	C1	Br5	109.553	Br4	C1	Br5	112.682

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: BLYP/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	-0.048
2	H	0.193
3	F	-0.152
4	Br	0.003
5	Br	0.003

	x	y	z	Total
	-1.104	0.567	0.000	1.241
CHELPG
AIM
ESP

	x	y	z
x	4.281	0.240	0.000
y	0.240	5.728	0.000
z	0.000	0.000	10.034

<r²>	267.578
(<r²>)^1/2	16.358

All results from a given calculation for CHBr2F (dibromofluoromethane)

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

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)