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	hartrees
Energy at 0K	-5286.973366
Energy at 298.15K
HF Energy	-5286.973366
Nuclear repulsion energy	481.141590

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'	3182	3038	0.49	78.16	0.24	0.39
2	A'	1345	1284	19.47	4.80	0.74	0.85
3	A'	1118	1068	217.45	1.69	0.72	0.84
4	A'	632	604	26.25	10.44	0.13	0.23
5	A'	367	350	0.43	4.76	0.23	0.38
6	A'	172	164	0.00	4.52	0.52	0.68
7	A"	1209	1155	97.37	2.14	0.75	0.86
8	A"	726	693	204.04	7.39	0.75	0.86
9	A"	304	291	0.00	2.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.101	0.788	0.000
H2	-1.013	1.376	0.000
F3	0.966	1.597	0.000
Br4	-0.101	-0.292	1.609
Br5	-0.101	-0.292	-1.609

	C1	H2	F3	Br4	Br5
C1		1.0848	1.3396	1.9375	1.9375
H2	1.0848		1.9911	2.4903	2.4903
F3	1.3396	1.9911		2.7013	2.7013
Br4	1.9375	2.4903	2.7013		3.2172
Br5	1.9375	2.4903	2.7013	3.2172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.978	H2	C1	Br4	107.598
H2	C1	Br5	107.598	F3	C1	Br4	109.685
F3	C1	Br5	109.685	Br4	C1	Br5	112.243

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: wB97X-D/TZVP

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	0.063
2	H	0.172
3	F	-0.140
4	Br	-0.048
5	Br	-0.048

	x	y	z	Total
	-1.208	0.403	0.000	1.273
CHELPG
AIM
ESP

	x	y	z
x	4.712	0.182	0.000
y	0.182	5.947	0.000
z	0.000	0.000	9.563

<r²>	255.391
(<r²>)^1/2	15.981

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)