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	hartrees
Energy at 0K	-164.098668
Energy at 298.15K
HF Energy	-164.098668
Nuclear repulsion energy	83.769010

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'	3446	3103	2.28	109.33	0.22	0.36
2	A'	1421	1279	31.63	8.19	0.75	0.86
3	A'	1113	1002	218.24	7.84	0.75	0.86
4	A'	640	576	27.37	29.42	0.13	0.23
5	A'	362	326	1.26	9.91	0.25	0.41
6	A'	182	164	0.04	9.33	0.59	0.74
7	A"	1334	1201	127.35	5.07	0.75	0.86
8	A"	753	678	202.25	19.73	0.75	0.86
9	A"	305	274	1.53	4.39	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.108	0.785	0.000
H2	-0.980	1.403	0.000
F3	1.017	1.600	0.000
Br4	-0.108	-0.293	1.637
Br5	-0.108	-0.293	-1.637

	C1	H2	F3	Br4	Br5
C1		1.0694	1.3888	1.9600	1.9600
H2	1.0694		2.0069	2.5134	2.5134
F3	1.3888	2.0069		2.7434	2.7434
Br4	1.9600	2.5134	2.7434		3.2742
Br5	1.9600	2.5134	2.7434	3.2742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	108.762	H2	C1	Br4	108.531
H2	C1	Br5	108.531	F3	C1	Br4	108.821
F3	C1	Br5	108.821	Br4	C1	Br5	113.288

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HF/SDD

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	-0.246
2	H	0.304
3	F	-0.292
4	Br	0.117
5	Br	0.117

	x	y	z	Total
	-1.968	0.130	0.000	1.972
CHELPG
AIM
ESP

	x	y	z
x	2.371	0.225	0.000
y	0.225	4.104	0.000
z	0.000	0.000	8.781

<r²>	104.126
(<r²>)^1/2	10.204

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HF/SDD

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)