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	hartrees
Energy at 0K	-5289.390958
Energy at 298.15K
HF Energy	-5289.390958
Nuclear repulsion energy	473.538461

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'	3108	3064	3.75	80.33	0.26	0.41
2	A'	1292	1273	17.68	6.10	0.71	0.83
3	A'	1065	1050	216.32	0.82	0.71	0.83
4	A'	589	581	29.37	10.41	0.14	0.24
5	A'	340	335	1.11	6.71	0.19	0.32
6	A'	161	158	0.01	5.96	0.48	0.65
7	A"	1150	1134	97.07	2.82	0.75	0.86
8	A"	627	618	254.14	3.52	0.75	0.86
9	A"	280	276	3.02	3.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.800	0.000
H2	-1.024	1.379	0.000
F3	0.971	1.616	0.000
Br4	-0.101	-0.296	1.639
Br5	-0.101	-0.296	-1.639

	C1	H2	F3	Br4	Br5
C1		1.0893	1.3478	1.9713	1.9713
H2	1.0893		2.0092	2.5182	2.5182
F3	1.3478	2.0092		2.7371	2.7371
Br4	1.9713	2.5182	2.7371		3.2773
Br5	1.9713	2.5182	2.7371	3.2773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.616	H2	C1	Br4	107.183
H2	C1	Br5	107.183	F3	C1	Br4	109.677
F3	C1	Br5	109.677	Br4	C1	Br5	112.455

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: B97D3/6-311G**

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	-0.039
2	H	0.199
3	F	-0.156
4	Br	-0.002
5	Br	-0.002

	x	y	z	Total
	-1.099	0.601	0.000	1.253
CHELPG
AIM
ESP

	x	y	z
x	4.225	0.227	0.000
y	0.227	5.637	0.000
z	0.000	0.000	9.755

<r²>	262.961
(<r²>)^1/2	16.216

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)