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	hartrees
Energy at 0K	-5286.888683
Energy at 298.15K
HF Energy	-5286.888683
Nuclear repulsion energy	481.760999

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'	3175	3039	0.05	70.35	0.20	0.34
2	A'	1304	1249	10.38	3.84	0.43	0.60
3	A'	1091	1044	183.36	2.92	0.58	0.74
4	A'	633	606	22.79	13.88	0.06	0.11
5	A'	365	349	0.21	5.59	0.11	0.20
6	A'	174	167	0.00	2.89	0.38	0.55
7	A"	1195	1144	77.68	1.63	0.75	0.86
8	A"	733	702	185.78	5.27	0.75	0.86
9	A"	300	288	0.02	1.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.786	0.000
H2	-1.011	1.395	0.000
F3	0.984	1.588	0.000
Br4	-0.103	-0.291	1.604
Br5	-0.103	-0.291	-1.604

	C1	H2	F3	Br4	Br5
C1		1.0931	1.3512	1.9324	1.9324
H2	1.0931		2.0037	2.4984	2.4984
F3	1.3512	2.0037		2.6998	2.6998
Br4	1.9324	2.4984	2.6998		3.2090
Br5	1.9324	2.4984	2.6998	3.2090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.667	H2	C1	Br4	108.108
H2	C1	Br5	108.108	F3	C1	Br4	109.332
F3	C1	Br5	109.332	Br4	C1	Br5	112.257

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: wB97X-D/aug-cc-pVDZ

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	-0.145
2	H	-0.105
3	F	-0.327
4	Br	0.288
5	Br	0.288

	x	y	z	Total
	-1.109	0.427	0.000	1.189
CHELPG
AIM
ESP

	x	y	z
x	6.730	0.220	0.000
y	0.220	7.558	0.000
z	0.000	0.000	10.920

<r²>	254.619
(<r²>)^1/2	15.957

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)