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	hartrees
Energy at 0K	-5286.145111
Energy at 298.15K
HF Energy	-5286.145111
Nuclear repulsion energy	482.889988

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'	3167	3167	0.14	74.73	0.22	0.36
2	A'	1320	1320	11.86	3.66	0.57	0.72
3	A'	1117	1117	187.71	1.84	0.64	0.78
4	A'	630	630	23.07	10.35	0.08	0.15
5	A'	365	365	0.27	5.10	0.15	0.27
6	A'	170	170	0.00	3.33	0.44	0.61
7	A"	1190	1190	75.25	1.17	0.75	0.86
8	A"	714	714	197.39	4.75	0.75	0.86
9	A"	301	301	0.04	2.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.784	0.000
H2	-1.013	1.373	0.000
F3	0.967	1.591	0.000
Br4	-0.101	-0.291	1.602
Br5	-0.101	-0.291	-1.602

	C1	H2	F3	Br4	Br5
C1		1.0852	1.3391	1.9296	1.9296
H2	1.0852		1.9923	2.4835	2.4835
F3	1.3391	1.9923		2.6931	2.6931
Br4	1.9296	2.4835	2.6931		3.2037
Br5	1.9296	2.4835	2.6931	3.2037

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.095	H2	C1	Br4	107.605
H2	C1	Br5	107.605	F3	C1	Br4	109.630
F3	C1	Br5	109.630	Br4	C1	Br5	112.229

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HSEh1PBE/Def2TZVPP

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	0.084
2	H	0.149
3	F	-0.135
4	Br	-0.049
5	Br	-0.049

	x	y	z	Total
	-1.046	0.468	0.000	1.145
CHELPG
AIM
ESP

	x	y	z
x	5.896	0.198	0.000
y	0.198	6.882	0.000
z	0.000	0.000	10.416

<r²>	253.592
(<r²>)^1/2	15.925

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)