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	hartrees
Energy at 0K	-5228.699711
Energy at 298.15K
HF Energy	-5228.699711
Nuclear repulsion energy	475.590264

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'	3335	3335	2.94	41.59	0.37	0.54
2	A'	1422	1422	44.49	5.84	0.75	0.86
3	A'	1265	1265	64.42	3.28	0.72	0.84
4	A'	679	679	23.29	8.93	0.13	0.23
5	A'	393	393	3.69	3.97	0.28	0.44
6	A'	187	187	0.55	3.65	0.58	0.74
7	A"	1311	1311	71.46	8.09	0.75	0.86
8	A"	820	820	121.10	7.58	0.75	0.86
9	A"	315	315	0.05	2.35	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.788	0.000
H2	-1.055	1.365	0.000
F3	0.970	1.653	0.000
Br4	-0.101	-0.300	1.621
Br5	-0.101	-0.300	-1.621

	C1	H2	F3	Br4	Br5
C1		1.1156	1.3766	1.9516	1.9516
H2	1.1156		2.0454	2.5117	2.5117
F3	1.3766	2.0454		2.7542	2.7542
Br4	1.9516	2.5117	2.7542		3.2415
Br5	1.9516	2.5117	2.7542	3.2415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.881	H2	C1	Br4	106.756
H2	C1	Br5	106.756	F3	C1	Br4	110.500
F3	C1	Br5	110.500	Br4	C1	Br5	112.293

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: M06-2X/STO-3G

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	-0.036
2	H	0.108
3	F	-0.065
4	Br	-0.004
5	Br	-0.004

	x	y	z	Total
	-0.623	1.027	0.000	1.201
CHELPG
AIM
ESP

	x	y	z
x	1.115	0.215	0.000
y	0.215	2.254	0.000
z	0.000	0.000	4.714

<r²>	257.620
(<r²>)^1/2	16.051

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: M06-2X/STO-3G

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)