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	hartrees
Energy at 0K	-5289.355508
Energy at 298.15K
HF Energy	-5289.355508
Nuclear repulsion energy	473.532308

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'	3091	3065	3.49	89.55	0.25	0.40
2	A'	1267	1256	18.72	5.17	0.72	0.84
3	A'	1083	1073	209.05	0.95	0.61	0.75
4	A'	589	584	27.74	9.87	0.14	0.24
5	A'	339	336	1.01	6.38	0.18	0.31
6	A'	161	160	0.00	5.69	0.47	0.64
7	A"	1129	1120	87.02	2.70	0.75	0.86
8	A"	627	621	237.70	3.23	0.75	0.86
9	A"	278	276	2.98	2.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.804	0.000
H2	-1.036	1.384	0.000
F3	0.971	1.623	0.000
Br4	-0.101	-0.297	1.636
Br5	-0.101	-0.297	-1.636

	C1	H2	F3	Br4	Br5
C1		1.1000	1.3492	1.9722	1.9722
H2	1.1000		2.0215	2.5254	2.5254
F3	1.3492	2.0215		2.7410	2.7410
Br4	1.9722	2.5254	2.7410		3.2719
Br5	1.9722	2.5254	2.7410	3.2719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.840	H2	C1	Br4	107.125
H2	C1	Br5	107.125	F3	C1	Br4	109.804
F3	C1	Br5	109.804	Br4	C1	Br5	112.092

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B97D3/cc-pVDZ

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	0.076
2	H	0.110
3	F	-0.127
4	Br	-0.029
5	Br	-0.029

	x	y	z	Total
	-0.982	0.619	0.000	1.161
CHELPG
AIM
ESP

	x	y	z
x	4.102	0.206	0.000
y	0.206	5.470	0.000
z	0.000	0.000	9.279

<r²>	262.268
(<r²>)^1/2	16.195

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B97D3/cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)