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	hartrees
Energy at 0K	-5281.453638
Energy at 298.15K
HF Energy	-5281.453638
Nuclear repulsion energy	488.216997

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'	3156	3022	1.03	67.08	0.25	0.40
2	A'	1327	1271	12.06	4.09	0.63	0.77
3	A'	1142	1093	151.17	1.24	0.65	0.79
4	A'	642	614	20.89	9.99	0.06	0.12
5	A'	369	353	0.31	4.80	0.12	0.22
6	A'	177	169	0.01	2.77	0.39	0.56
7	A"	1200	1149	67.51	1.61	0.75	0.86
8	A"	731	700	180.40	3.14	0.75	0.86
9	A"	307	294	0.00	1.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.102	0.781	0.000
H2	-1.008	1.386	0.000
F3	0.977	1.566	0.000
Br4	-0.102	-0.288	1.581
Br5	-0.102	-0.288	-1.581

	C1	H2	F3	Br4	Br5
C1		1.0891	1.3350	1.9085	1.9085
H2	1.0891		1.9928	2.4744	2.4744
F3	1.3350	1.9928		2.6653	2.6653
Br4	1.9085	2.4744	2.6653		3.1622
Br5	1.9085	2.4744	2.6653	3.1622

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.173	H2	C1	Br4	108.141
H2	C1	Br5	108.141	F3	C1	Br4	109.242
F3	C1	Br5	109.242	Br4	C1	Br5	111.886

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	-0.220
2	H	0.205
3	F	-0.068
4	Br	0.042
5	Br	0.042

	x	y	z	Total
	-0.893	0.585	0.000	1.067
CHELPG
AIM
ESP

	x	y	z
x	5.965	0.143	0.000
y	0.143	6.773	0.000
z	0.000	0.000	9.942

<r²>	247.817
(<r²>)^1/2	15.742

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)