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	hartrees
Energy at 0K	-5286.802143
Energy at 298.15K
HF Energy	-5286.802143
Nuclear repulsion energy	481.661326

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'	3153	3018	0.04	69.46	0.21	0.34
2	A'	1317	1261	9.96	4.45	0.39	0.56
3	A'	1104	1057	183.28	2.72	0.49	0.66
4	A'	624	597	23.26	13.03	0.05	0.10
5	A'	362	346	0.24	5.96	0.10	0.19
6	A'	168	161	0.01	3.01	0.37	0.54
7	A"	1184	1133	73.11	1.29	0.75	0.86
8	A"	701	671	199.94	4.06	0.75	0.86
9	A"	299	286	0.10	1.77	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.786	0.000
H2	-1.013	1.374	0.000
F3	0.968	1.591	0.000
Br4	-0.101	-0.292	1.607
Br5	-0.101	-0.292	-1.607

	C1	H2	F3	Br4	Br5
C1		1.0851	1.3384	1.9352	1.9352
H2	1.0851		1.9924	2.4881	2.4881
F3	1.3384	1.9924		2.6967	2.6967
Br4	1.9352	2.4881	2.6967		3.2150
Br5	1.9352	2.4881	2.6967	3.2150

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.156	H2	C1	Br4	107.574
H2	C1	Br5	107.574	F3	C1	Br4	109.581
F3	C1	Br5	109.581	Br4	C1	Br5	112.331

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B3PW91/6-311+G(3df,2p)

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	0.118
2	H	0.192
3	F	-0.261
4	Br	-0.024
5	Br	-0.024

	x	y	z	Total
	-1.041	0.446	0.000	1.132
CHELPG
AIM
ESP

	x	y	z
x	6.880	0.226	0.000
y	0.226	7.668	0.000
z	0.000	0.000	11.161

<r²>	254.901
(<r²>)^1/2	15.966

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B3PW91/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)