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	hartrees
Energy at 0K	-5281.946583
Energy at 298.15K
HF Energy	-5281.946583
Nuclear repulsion energy	482.769131

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'	3206	3041	2.46	77.59	0.27	0.42
2	A'	1352	1282	22.83	5.06	0.71	0.83
3	A'	1156	1097	176.78	1.69	0.71	0.83
4	A'	633	600	24.94	11.20	0.10	0.18
5	A'	361	343	0.46	4.78	0.18	0.31
6	A'	179	169	0.01	3.52	0.45	0.63
7	A"	1219	1156	96.72	3.20	0.75	0.86
8	A"	723	686	194.18	5.18	0.75	0.86
9	A"	301	285	0.01	2.25	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.798	0.000
H2	-1.013	1.389	0.000
F3	0.976	1.594	0.000
Br4	-0.102	-0.293	1.598
Br5	-0.102	-0.293	-1.598

	C1	H2	F3	Br4	Br5
C1		1.0866	1.3400	1.9348	1.9348
H2	1.0866		1.9995	2.4931	2.4931
F3	1.3400	1.9995		2.6974	2.6974
Br4	1.9348	2.4931	2.6974		3.1962
Br5	1.9348	2.4931	2.6974	3.1962

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.542	H2	C1	Br4	107.883
H2	C1	Br5	107.883	F3	C1	Br4	109.570
F3	C1	Br5	109.570	Br4	C1	Br5	111.371

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: wB97X-D/6-31G*

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	0.130
2	H	0.241
3	F	-0.235
4	Br	-0.068
5	Br	-0.068

	x	y	z	Total
	-1.049	0.594	0.000	1.205
CHELPG
AIM
ESP

	x	y	z
x	4.733	0.144	0.000
y	0.144	5.739	0.000
z	0.000	0.000	8.981

<r²>	252.785
(<r²>)^1/2	15.899

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)