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	hartrees
Energy at 0K	-5286.939685
Energy at 298.15K
HF Energy	-5286.939685
Nuclear repulsion energy	471.721732

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'	3080	3080	0.32	78.88	0.23	0.37
2	A'	1266	1266	10.41	3.77	0.59	0.74
3	A'	1012	1012	188.14	1.29	0.75	0.86
4	A'	580	580	25.92	10.34	0.09	0.16
5	A'	333	333	0.48	6.61	0.15	0.26
6	A'	156	156	0.02	4.71	0.42	0.59
7	A"	1132	1132	76.56	1.01	0.75	0.86
8	A"	620	620	221.66	4.10	0.75	0.86
9	A"	275	275	1.58	2.65	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.799	0.000
H2	-1.019	1.388	0.000
F3	0.983	1.621	0.000
Br4	-0.103	-0.297	1.645
Br5	-0.103	-0.297	-1.645

	C1	H2	F3	Br4	Br5
C1		1.0892	1.3623	1.9760	1.9760
H2	1.0892		2.0161	2.5262	2.5262
F3	1.3623	2.0161		2.7497	2.7497
Br4	1.9760	2.5262	2.7497		3.2891
Br5	1.9760	2.5262	2.7497	3.2891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.153	H2	C1	Br4	107.451
H2	C1	Br5	107.451	F3	C1	Br4	109.537
F3	C1	Br5	109.537	Br4	C1	Br5	112.662

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: BLYP/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	0.070
2	H	0.174
3	F	-0.140
4	Br	-0.052
5	Br	-0.052

	x	y	z	Total
	-1.020	0.476	0.000	1.126
CHELPG
AIM
ESP

	x	y	z
x	6.080	0.258	0.000
y	0.258	7.218	0.000
z	0.000	0.000	11.279

<r²>	265.149
(<r²>)^1/2	16.283

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)