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	hartrees
Energy at 0K	-5282.028200
Energy at 298.15K
HF Energy	-5282.028200
Nuclear repulsion energy	483.488073

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'	3218	3047	1.32	81.70	0.26	0.42
2	A'	1346	1275	25.89	5.34	0.73	0.84
3	A'	1184	1121	169.57	1.84	0.71	0.83
4	A'	633	600	26.07	11.56	0.10	0.18
5	A'	363	344	0.47	4.58	0.18	0.31
6	A'	181	171	0.01	3.47	0.46	0.63
7	A"	1212	1148	98.91	3.37	0.75	0.86
8	A"	723	685	204.95	5.12	0.75	0.86
9	A"	304	288	0.00	2.14	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.103	0.796	0.000
H2	-1.009	1.394	0.000
F3	0.981	1.581	0.000
Br4	-0.103	-0.291	1.597
Br5	-0.103	-0.291	-1.597

	C1	H2	F3	Br4	Br5
C1		1.0859	1.3388	1.9319	1.9319
H2	1.0859		1.9993	2.4923	2.4923
F3	1.3388	1.9993		2.6893	2.6893
Br4	1.9319	2.4923	2.6893		3.1939
Br5	1.9319	2.4923	2.6893	3.1939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	F3	110.657	H2	C1	Br4	108.055
H2	C1	Br5	108.055	F3	C1	Br4	109.279
F3	C1	Br5	109.279	Br4	C1	Br5	111.508

All results from a given calculation for CHBr₂F (dibromofluoromethane)

using model chemistry: M06-2X/6-31G*

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	0.121
2	H	0.243
3	F	-0.241
4	Br	-0.061
5	Br	-0.061

	x	y	z	Total
	-1.068	0.606	0.000	1.228
CHELPG
AIM
ESP

	x	y	z
x	4.715	0.112	0.000
y	0.112	5.698	0.000
z	0.000	0.000	8.931

<r²>	252.410
(<r²>)^1/2	15.887

All results from a given calculation for CHBr2F (dibromofluoromethane)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for CHBr₂F (dibromofluoromethane)