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	hartrees
Energy at 0K	-5281.139602
Energy at 298.15K
HF Energy	-5281.139602
Nuclear repulsion energy	483.302455

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	3056	1.99	76.91	0.27	0.42
2	A'	1340	1277	22.69	5.01	0.72	0.84
3	A'	1164	1110	174.95	1.38	0.74	0.85
4	A'	629	600	24.63	10.38	0.10	0.18
5	A'	359	342	0.51	4.69	0.18	0.31
6	A'	177	168	0.01	3.62	0.45	0.62
7	A"	1205	1149	91.84	3.14	0.75	0.86
8	A"	707	674	203.29	4.05	0.75	0.86
9	A"	298	284	0.09	2.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.797	0.000
H2	-1.016	1.386	0.000
F3	0.974	1.592	0.000
Br4	-0.102	-0.293	1.596
Br5	-0.102	-0.293	-1.596

	C1	H2	F3	Br4	Br5
C1		1.0874	1.3378	1.9329	1.9329
H2	1.0874		2.0001	2.4906	2.4906
F3	1.3378	2.0001		2.6943	2.6943
Br4	1.9329	2.4906	2.6943		3.1926
Br5	1.9329	2.4906	2.6943	3.1926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.697	H2	C1	Br4	107.797
H2	C1	Br5	107.797	F3	C1	Br4	109.585
F3	C1	Br5	109.585	Br4	C1	Br5	111.357

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: PBE1PBE/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	0.100
2	H	0.246
3	F	-0.226
4	Br	-0.060
5	Br	-0.060

	x	y	z	Total
	-1.010	0.613	0.000	1.181
CHELPG
AIM
ESP

	x	y	z
x	4.735	0.150	0.000
y	0.150	5.742	0.000
z	0.000	0.000	9.018

<r²>	252.276
(<r²>)^1/2	15.883

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)