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	hartrees
Energy at 0K	-5286.233822
Energy at 298.15K
HF Energy	-5286.233822
Nuclear repulsion energy	482.670552

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'	3166	3166	0.04	72.94	0.19	0.32
2	A'	1317	1317	10.46	4.70	0.36	0.53
3	A'	1111	1111	182.35	2.92	0.45	0.62
4	A'	629	629	22.71	13.74	0.05	0.10
5	A'	364	364	0.23	6.02	0.10	0.18
6	A'	170	170	0.00	2.81	0.34	0.51
7	A"	1188	1188	73.54	1.31	0.75	0.86
8	A"	712	712	194.44	3.89	0.75	0.86
9	A"	300	300	0.03	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.785	0.000
H2	-1.012	1.375	0.000
F3	0.969	1.591	0.000
Br4	-0.101	-0.291	1.603
Br5	-0.101	-0.291	-1.603

	C1	H2	F3	Br4	Br5
C1		1.0849	1.3398	1.9306	1.9306
H2	1.0849		1.9925	2.4849	2.4849
F3	1.3398	1.9925		2.6939	2.6939
Br4	1.9306	2.4849	2.6939		3.2052
Br5	1.9306	2.4849	2.6939	3.2052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.082	H2	C1	Br4	107.656
H2	C1	Br5	107.656	F3	C1	Br4	109.593
F3	C1	Br5	109.593	Br4	C1	Br5	112.217

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

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	0.789
2	H	0.483
3	F	-0.641
4	Br	-0.315
5	Br	-0.315

	x	y	z	Total
	-1.045	0.438	0.000	1.133
CHELPG
AIM
ESP

	x	y	z
x	7.126	0.208	0.000
y	0.208	7.909	0.000
z	0.000	0.000	11.330

<r²>	253.894
(<r²>)^1/2	15.934

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HSEh1PBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)