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	hartrees
Energy at 0K	-5286.869588
Energy at 298.15K
HF Energy	-5286.869588
Nuclear repulsion energy	476.901763

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'	3164	3164	0.08	74.98	0.20	0.34
2	A'	1289	1289	9.43	4.70	0.38	0.55
3	A'	1058	1058	183.94	2.98	0.50	0.67
4	A'	609	609	24.32	15.14	0.06	0.11
5	A'	350	350	0.22	6.83	0.10	0.18
6	A'	166	166	0.01	3.40	0.34	0.50
7	A"	1171	1171	77.79	1.31	0.75	0.86
8	A"	678	678	206.01	4.30	0.75	0.86
9	A"	290	290	0.22	1.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.104	0.791	0.000
H2	-1.011	1.397	0.000
F3	0.987	1.598	0.000
Br4	-0.104	-0.293	1.625
Br5	-0.104	-0.293	-1.625

	C1	H2	F3	Br4	Br5
C1		1.0919	1.3570	1.9529	1.9529
H2	1.0919		2.0087	2.5142	2.5142
F3	1.3570	2.0087		2.7212	2.7212
Br4	1.9529	2.5142	2.7212		3.2492
Br5	1.9529	2.5142	2.7212	3.2492

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.750	H2	C1	Br4	107.959
H2	C1	Br5	107.959	F3	C1	Br4	109.275
F3	C1	Br5	109.275	Br4	C1	Br5	112.583

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3LYP/daug-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	0.428
2	H	-0.461
3	F	-0.516
4	Br	0.275
5	Br	0.275

	x	y	z	Total
	-1.094	0.408	0.000	1.167
CHELPG
AIM
ESP

	x	y	z
x	7.245	0.232	0.000
y	0.232	8.062	0.000
z	0.000	0.000	11.652

<r²>	259.821
(<r²>)^1/2	16.119

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3LYP/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)