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	hartrees
Energy at 0K	-5281.938451
Energy at 298.15K
HF Energy	-5281.938451
Nuclear repulsion energy	478.062882

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'	3186	3060	2.71	77.57	0.27	0.43
2	A'	1334	1281	23.11	5.27	0.72	0.84
3	A'	1132	1087	177.12	1.45	0.75	0.85
4	A'	609	585	25.24	11.01	0.10	0.19
5	A'	348	334	0.63	5.38	0.17	0.29
6	A'	171	164	0.00	4.11	0.44	0.61
7	A"	1190	1143	97.65	3.17	0.75	0.86
8	A"	670	644	209.68	4.44	0.75	0.86
9	A"	289	278	0.47	2.45	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.806	0.000
H2	-1.017	1.392	0.000
F3	0.978	1.606	0.000
Br4	-0.102	-0.295	1.616
Br5	-0.102	-0.295	-1.616

	C1	H2	F3	Br4	Br5
C1		1.0866	1.3440	1.9561	1.9561
H2	1.0866		2.0067	2.5096	2.5096
F3	1.3440	2.0067		2.7192	2.7192
Br4	1.9561	2.5096	2.7192		3.2328
Br5	1.9561	2.5096	2.7192	3.2328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.850	H2	C1	Br4	107.684
H2	C1	Br5	107.684	F3	C1	Br4	109.575
F3	C1	Br5	109.575	Br4	C1	Br5	111.451

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3LYP/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	0.143
2	H	0.220
3	F	-0.226
4	Br	-0.068
5	Br	-0.068

	x	y	z	Total
	-1.003	0.625	0.000	1.181
CHELPG
AIM
ESP

	x	y	z
x	4.736	0.163	0.000
y	0.163	5.789	0.000
z	0.000	0.000	9.250

<r²>	257.520
(<r²>)^1/2	16.047

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)