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	hartrees
Energy at 0K	-5286.846517
Energy at 298.15K
HF Energy	-5286.846517
Nuclear repulsion energy	469.464090

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'	3084	3077	3.51	79.34	0.28	0.43
2	A'	1288	1284	17.84	6.73	0.72	0.84
3	A'	1036	1033	205.43	0.84	0.69	0.82
4	A'	578	577	28.07	10.87	0.14	0.24
5	A'	331	330	1.03	6.99	0.19	0.32
6	A'	156	155	0.02	6.35	0.48	0.65
7	A"	1147	1144	98.69	3.10	0.75	0.86
8	A"	612	611	250.10	3.53	0.75	0.86
9	A"	273	273	2.80	3.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.805	0.000
H2	-1.022	1.392	0.000
F3	0.979	1.626	0.000
Br4	-0.103	-0.298	1.655
Br5	-0.103	-0.298	-1.655

	C1	H2	F3	Br4	Br5
C1		1.0912	1.3579	1.9883	1.9883
H2	1.0912		2.0153	2.5374	2.5374
F3	1.3579	2.0153		2.7581	2.7581
Br4	1.9883	2.5374	2.7581		3.3091
Br5	1.9883	2.5374	2.7581	3.3091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.275	H2	C1	Br4	107.354
H2	C1	Br5	107.354	F3	C1	Br4	109.584
F3	C1	Br5	109.584	Br4	C1	Br5	112.639

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	-0.150
2	H	0.272
3	F	-0.150
4	Br	0.014
5	Br	0.014

	x	y	z	Total
	-1.107	0.571	0.000	1.246
CHELPG
AIM
ESP

	x	y	z
x	4.267	0.238	0.000
y	0.238	5.713	0.000
z	0.000	0.000	10.018

<r²>	267.562
(<r²>)^1/2	16.357

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)