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	hartrees
Energy at 0K	-5287.073306
Energy at 298.15K
HF Energy	-5287.073306
Nuclear repulsion energy	482.470489

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'	3173	3035	0.03	69.14	0.20	0.33
2	A'	1332	1274	11.40	4.68	0.36	0.52
3	A'	1112	1064	183.53	3.43	0.44	0.61
4	A'	634	607	22.36	14.44	0.06	0.11
5	A'	366	350	0.24	6.03	0.10	0.18
6	A'	172	165	0.00	2.75	0.34	0.50
7	A"	1206	1153	78.08	1.60	0.75	0.86
8	A"	730	699	183.27	4.76	0.75	0.86
9	A"	303	290	0.01	1.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.785	0.000
H2	-1.009	1.378	0.000
F3	0.970	1.589	0.000
Br4	-0.102	-0.291	1.604
Br5	-0.102	-0.291	-1.604

	C1	H2	F3	Br4	Br5
C1		1.0836	1.3406	1.9312	1.9312
H2	1.0836		1.9904	2.4860	2.4860
F3	1.3406	1.9904		2.6942	2.6942
Br4	1.9312	2.4860	2.6942		3.2074
Br5	1.9312	2.4860	2.6942	3.2074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	109.932	H2	C1	Br4	107.752
H2	C1	Br5	107.752	F3	C1	Br4	109.540
F3	C1	Br5	109.540	Br4	C1	Br5	112.281

All results from a given calculation for CHBr₂F (dibromofluoromethane)

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

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	0.096
2	H	0.255
3	F	-0.338
4	Br	-0.006
5	Br	-0.006

	x	y	z	Total
	-1.059	0.431	0.000	1.144
CHELPG
AIM
ESP

	x	y	z
x	7.116	0.207	0.000
y	0.207	7.870	0.000
z	0.000	0.000	11.164

<r²>	254.050
(<r²>)^1/2	15.939

All results from a given calculation for CHBr2F (dibromofluoromethane)

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

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)