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	hartrees
Energy at 0K	-5286.633206
Energy at 298.15K
HF Energy	-5286.633206
Nuclear repulsion energy	477.968760

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'	3168	3168	2.12	79.50	0.25	0.40
2	A'	1321	1321	18.64	5.81	0.72	0.83
3	A'	1089	1089	211.49	1.05	0.75	0.86
4	A'	610	610	28.27	11.01	0.13	0.23
5	A'	350	350	0.78	5.96	0.20	0.34
6	A'	164	164	0.00	5.32	0.50	0.66
7	A"	1182	1182	102.64	2.95	0.75	0.86
8	A"	674	674	241.25	4.47	0.75	0.86
9	A"	289	289	0.61	3.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.790	0.000
H2	-1.013	1.380	0.000
F3	0.977	1.597	0.000
Br4	-0.102	-0.293	1.622
Br5	-0.102	-0.293	-1.622

	C1	H2	F3	Br4	Br5
C1		1.0847	1.3477	1.9501	1.9501
H2	1.0847		2.0015	2.5013	2.5013
F3	1.3477	2.0015		2.7143	2.7143
Br4	1.9501	2.5013	2.7143		3.2436
Br5	1.9501	2.5013	2.7143	3.2436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.280	H2	C1	Br4	107.573
H2	C1	Br5	107.573	F3	C1	Br4	109.423
F3	C1	Br5	109.423	Br4	C1	Br5	112.534

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: TPSSh/6-311G**

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	-0.038
2	H	0.205
3	F	-0.176
4	Br	0.004
5	Br	0.004

	x	y	z	Total
	-1.168	0.538	0.000	1.286
CHELPG
AIM
ESP

	x	y	z
x	4.165	0.215	0.000
y	0.215	5.507	0.000
z	0.000	0.000	9.401

<r²>	258.544
(<r²>)^1/2	16.079

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: TPSSh/6-311G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)